REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2zw9_1_A DATA FIRST_RESID 16 DATA SEQUENCE QERRKKYADL AIQGTNNSSI ASKRSVELLY LPKLSSANNF QMDKNNKLLE DATA SEQUENCE YFKFFVPKKI KRSPCINRGY WLRLFAIRSR LNSIIEQTPQ DKKIVVVNLG DATA SEQUENCE CGYDPLPFQL LDTNNIQSQQ YHDRVSFIDI DYSDLLKIKI ELIKTIPELS DATA SEQUENCE KIIGLSXXXX XXXXXNVDFL TTPKYLARPC DLNDSKMFST LLNECQLYDP DATA SEQUENCE NVVKVFVAEV SLAYMKPERS DSIIEATSKM ENSHFIILEQ LIPKGPFEPF DATA SEQUENCE SKQMLAHFKR NDSPLQSVLK YNTIESQVQR FNKLGFAYVN VGDMFQLWES DATA SEQUENCE ADEATKKELL KVEPFDELEE FHLFCHHYVL CHATNYKEFA FTQGFLFDRS DATA SEQUENCE ISEINLTVDE DYQLLECECP INRKFGDVDV AGNDVFYMGG SNPYRVNEIL DATA SEQUENCE QLSIHYDKID MKNIEVSSSE VPVARMCHTF TTISRNNQLL LIGGRKAPHQ DATA SEQUENCE GLSDNWIFDM KTREWSMIKS LSHTRFRHSA CSLPDGNVLI LGGVTEGPAM DATA SEQUENCE LLYNVTEEIF KDVTPKDEFF QNSLVSAGLE FDPVSKQGII LGGGFMDQTT DATA SEQUENCE VSDKAIIFKY DAENATEPIT VIKKLQHPLF QRYGSQIKYI TPRKLLIVGG DATA SEQUENCE TSPSGLFDRT NSIISLDPLS ETLTSIPISR RIWEDHSLML AGFSLVSTXX DATA SEQUENCE XTIHIIGGGA TCYGFGSVTN VGLKLIAI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 16 Q HA 0.000 nan 4.340 nan 0.000 0.214 16 Q C 0.000 176.012 176.000 0.020 0.000 1.003 16 Q CA 0.000 55.810 55.803 0.012 0.000 1.022 16 Q CB 0.000 28.745 28.738 0.011 0.000 1.108 17 E N 1.699 121.912 120.200 0.021 0.000 2.515 17 E HA -0.074 4.274 4.350 -0.004 0.000 0.201 17 E C 1.538 178.157 176.600 0.031 0.000 1.071 17 E CA 0.523 56.940 56.400 0.028 0.000 0.880 17 E CB 0.077 29.794 29.700 0.027 0.000 0.828 17 E HN 0.152 nan 8.360 nan 0.000 0.540 18 R N 0.481 120.996 120.500 0.025 0.000 2.080 18 R HA 0.044 4.382 4.340 -0.004 0.000 0.222 18 R C 2.350 178.680 176.300 0.049 0.000 1.107 18 R CA 0.449 56.565 56.100 0.028 0.000 0.980 18 R CB -0.173 30.129 30.300 0.004 0.000 0.879 18 R HN 0.013 nan 8.270 nan 0.000 0.439 19 R N 1.634 122.157 120.500 0.038 0.000 2.159 19 R HA -0.157 4.181 4.340 -0.004 0.000 0.237 19 R C 2.047 178.405 176.300 0.097 0.000 1.131 19 R CA 1.475 57.613 56.100 0.064 0.000 0.982 19 R CB 0.018 30.341 30.300 0.039 0.000 0.868 19 R HN 0.067 nan 8.270 nan 0.000 0.453 20 K N 0.680 121.121 120.400 0.068 0.000 2.067 20 K HA -0.070 4.248 4.320 -0.004 0.000 0.203 20 K C 1.412 178.035 176.600 0.039 0.000 1.048 20 K CA 0.984 57.305 56.287 0.057 0.000 0.954 20 K CB 0.129 32.659 32.500 0.050 0.000 0.737 20 K HN 0.058 nan 8.250 nan 0.000 0.444 21 K N -0.371 120.055 120.400 0.043 0.000 2.555 21 K HA -0.135 4.182 4.320 -0.004 0.000 0.193 21 K C 1.529 178.147 176.600 0.031 0.000 1.032 21 K CA 0.684 56.978 56.287 0.011 0.000 1.004 21 K CB 0.042 32.557 32.500 0.025 0.000 0.804 21 K HN 0.277 nan 8.250 nan 0.000 0.496 22 Y N 0.108 120.373 120.300 -0.059 0.000 2.314 22 Y HA 0.077 4.624 4.550 -0.004 0.000 0.294 22 Y C 2.166 178.022 175.900 -0.074 0.000 1.139 22 Y CA 0.832 58.896 58.100 -0.060 0.000 1.162 22 Y CB -0.004 38.433 38.460 -0.038 0.000 1.121 22 Y HN -0.045 nan 8.280 nan 0.000 0.529 23 A N 0.111 122.893 122.820 -0.064 0.000 2.125 23 A HA -0.161 4.157 4.320 -0.004 0.000 0.219 23 A C 1.474 178.941 177.584 -0.194 0.000 1.156 23 A CA 2.038 53.988 52.037 -0.145 0.000 0.671 23 A CB -0.687 18.316 19.000 0.005 0.000 0.794 23 A HN 0.579 nan 8.150 nan 0.000 0.459 24 D N -0.348 119.924 120.400 -0.213 0.000 2.162 24 D HA 0.005 4.643 4.640 -0.004 0.000 0.203 24 D C 1.812 177.810 176.300 -0.505 0.000 0.967 24 D CA 0.747 54.519 54.000 -0.380 0.000 0.840 24 D CB -0.144 40.387 40.800 -0.449 0.000 0.972 24 D HN 0.428 nan 8.370 nan 0.000 0.482 25 L N 0.200 121.191 121.223 -0.386 0.000 2.313 25 L HA 0.054 4.392 4.340 -0.004 0.000 0.214 25 L C 2.273 178.956 176.870 -0.311 0.000 1.119 25 L CA 0.540 55.187 54.840 -0.322 0.000 0.809 25 L CB -0.206 41.721 42.059 -0.219 0.000 0.933 25 L HN -0.023 nan 8.230 nan 0.000 0.449 26 A N 0.346 122.930 122.820 -0.393 0.000 1.930 26 A HA -0.118 4.200 4.320 -0.004 0.000 0.217 26 A C 2.180 179.593 177.584 -0.284 0.000 1.175 26 A CA 1.201 53.022 52.037 -0.359 0.000 0.627 26 A CB -0.445 18.287 19.000 -0.447 0.000 0.815 26 A HN 0.330 nan 8.150 nan 0.000 0.443 27 I N -0.430 119.963 120.570 -0.294 0.000 2.439 27 I HA -0.260 3.908 4.170 -0.004 0.000 0.251 27 I C 2.515 178.488 176.117 -0.241 0.000 1.139 27 I CA 1.133 62.227 61.300 -0.343 0.000 1.438 27 I CB -0.278 37.594 38.000 -0.214 0.000 1.085 27 I HN 0.433 nan 8.210 nan 0.000 0.427 28 Q N 0.307 119.998 119.800 -0.182 0.000 2.369 28 Q HA -0.062 4.276 4.340 -0.004 0.000 0.206 28 Q C 2.253 178.179 176.000 -0.123 0.000 0.963 28 Q CA 1.127 56.863 55.803 -0.112 0.000 0.894 28 Q CB -0.232 28.430 28.738 -0.126 0.000 0.965 28 Q HN 0.601 nan 8.270 nan 0.000 0.475 29 G N 1.134 109.851 108.800 -0.137 0.000 2.448 29 G HA2 -0.227 3.730 3.960 -0.004 0.000 0.218 29 G HA3 -0.227 3.730 3.960 -0.004 0.000 0.218 29 G C 1.599 176.467 174.900 -0.052 0.000 1.135 29 G CA 1.249 46.294 45.100 -0.092 0.000 0.784 29 G HN 0.459 nan 8.290 nan 0.000 0.543 30 T N -0.866 113.650 114.554 -0.063 0.000 2.962 30 T HA -0.114 4.233 4.350 -0.004 0.000 0.270 30 T C 2.019 176.775 174.700 0.092 0.000 1.088 30 T CA 1.308 63.435 62.100 0.045 0.000 1.127 30 T CB -0.263 68.643 68.868 0.064 0.000 0.883 30 T HN 0.283 nan 8.240 nan 0.000 0.493 31 N N 2.392 121.097 118.700 0.009 0.000 2.069 31 N HA -0.148 4.590 4.740 -0.004 0.000 0.191 31 N C 1.785 177.299 175.510 0.007 0.000 1.031 31 N CA 1.663 54.699 53.050 -0.023 0.000 0.852 31 N CB -0.551 37.800 38.487 -0.227 0.000 1.018 31 N HN 0.346 nan 8.380 nan 0.000 0.423 32 N N -0.118 118.580 118.700 -0.003 0.000 2.060 32 N HA -0.196 4.542 4.740 -0.004 0.000 0.195 32 N C 1.714 177.275 175.510 0.086 0.000 1.028 32 N CA 1.505 54.599 53.050 0.073 0.000 0.861 32 N CB -0.896 37.631 38.487 0.067 0.000 1.029 32 N HN 0.352 nan 8.380 nan 0.000 0.428 33 S N 0.167 115.919 115.700 0.087 0.000 2.387 33 S HA -0.070 4.398 4.470 -0.004 0.000 0.226 33 S C 2.092 176.740 174.600 0.080 0.000 1.026 33 S CA 1.644 59.899 58.200 0.091 0.000 0.972 33 S CB -0.199 63.085 63.200 0.140 0.000 0.814 33 S HN 0.515 nan 8.310 nan 0.000 0.477 34 S N 0.262 116.050 115.700 0.148 0.000 2.439 34 S HA 0.096 4.564 4.470 -0.004 0.000 0.224 34 S C 1.789 176.443 174.600 0.091 0.000 1.029 34 S CA 0.509 58.820 58.200 0.184 0.000 0.946 34 S CB -0.548 62.882 63.200 0.382 0.000 0.797 34 S HN 0.465 nan 8.310 nan 0.000 0.504 35 I N 2.523 123.175 120.570 0.137 0.000 2.394 35 I HA 0.124 4.292 4.170 -0.004 0.000 0.251 35 I C 2.466 178.651 176.117 0.113 0.000 1.136 35 I CA 0.929 62.349 61.300 0.201 0.000 1.425 35 I CB -0.745 37.428 38.000 0.290 0.000 1.079 35 I HN 0.358 nan 8.210 nan 0.000 0.425 36 A N -0.551 122.294 122.820 0.042 0.000 1.877 36 A HA -0.193 4.125 4.320 -0.004 0.000 0.216 36 A C 2.430 179.916 177.584 -0.163 0.000 1.186 36 A CA 2.179 54.203 52.037 -0.021 0.000 0.620 36 A CB -1.174 17.815 19.000 -0.018 0.000 0.822 36 A HN 0.470 nan 8.150 nan 0.000 0.443 37 S N -0.087 115.414 115.700 -0.332 0.000 2.370 37 S HA -0.177 4.291 4.470 -0.004 0.000 0.226 37 S C 1.942 176.198 174.600 -0.572 0.000 1.033 37 S CA 1.707 59.528 58.200 -0.631 0.000 1.011 37 S CB -0.278 62.082 63.200 -1.400 0.000 0.852 37 S HN 0.615 nan 8.310 nan 0.000 0.457 38 K N 0.768 120.881 120.400 -0.479 0.000 2.057 38 K HA -0.091 4.226 4.320 -0.004 0.000 0.207 38 K C 2.370 178.607 176.600 -0.605 0.000 1.049 38 K CA 1.226 57.226 56.287 -0.478 0.000 0.931 38 K CB -0.153 32.061 32.500 -0.476 0.000 0.714 38 K HN 0.060 nan 8.250 nan 0.000 0.440 39 R N 1.293 121.581 120.500 -0.353 0.000 2.081 39 R HA -0.094 4.244 4.340 -0.004 0.000 0.235 39 R C 2.163 178.386 176.300 -0.127 0.000 1.131 39 R CA 2.022 58.030 56.100 -0.153 0.000 0.960 39 R CB -0.937 29.380 30.300 0.029 0.000 0.856 39 R HN 0.064 nan 8.270 nan 0.000 0.436 40 S N -0.852 114.758 115.700 -0.150 0.000 2.400 40 S HA -0.074 4.394 4.470 -0.004 0.000 0.232 40 S C 1.784 176.341 174.600 -0.071 0.000 1.025 40 S CA 1.384 59.520 58.200 -0.107 0.000 0.993 40 S CB -0.249 62.865 63.200 -0.142 0.000 0.808 40 S HN 0.221 nan 8.310 nan 0.000 0.478 41 V N 1.201 121.040 119.914 -0.125 0.000 2.548 41 V HA -0.041 4.077 4.120 -0.004 0.000 0.249 41 V C 2.438 178.572 176.094 0.068 0.000 1.055 41 V CA 1.884 64.150 62.300 -0.056 0.000 1.065 41 V CB -0.567 31.196 31.823 -0.100 0.000 0.681 41 V HN 0.571 nan 8.190 nan 0.000 0.462 42 E N 0.003 120.196 120.200 -0.011 0.000 2.072 42 E HA -0.187 4.161 4.350 -0.004 0.000 0.191 42 E C 2.222 178.873 176.600 0.085 0.000 0.985 42 E CA 1.125 57.573 56.400 0.080 0.000 0.801 42 E CB -0.046 29.711 29.700 0.096 0.000 0.750 42 E HN 0.535 nan 8.360 nan 0.000 0.452 43 L N 0.160 121.411 121.223 0.045 0.000 2.005 43 L HA -0.184 4.154 4.340 -0.004 0.000 0.207 43 L C 2.418 179.324 176.870 0.059 0.000 1.072 43 L CA 0.712 55.574 54.840 0.037 0.000 0.744 43 L CB -0.296 41.770 42.059 0.011 0.000 0.895 43 L HN 0.253 nan 8.230 nan 0.000 0.433 44 L N -2.130 119.153 121.223 0.101 0.000 2.116 44 L HA -0.076 4.262 4.340 -0.004 0.000 0.200 44 L C 2.290 179.251 176.870 0.151 0.000 1.084 44 L CA 1.608 56.522 54.840 0.124 0.000 0.766 44 L CB -0.713 41.456 42.059 0.184 0.000 0.930 44 L HN 0.025 nan 8.230 nan 0.000 0.453 45 Y N -0.043 120.261 120.300 0.007 0.000 2.109 45 Y HA -0.163 4.384 4.550 -0.003 0.000 0.285 45 Y C 2.472 178.382 175.900 0.017 0.000 1.131 45 Y CA 1.777 59.877 58.100 -0.001 0.000 1.121 45 Y CB -0.807 37.689 38.460 0.058 0.000 0.987 45 Y HN 0.069 nan 8.280 nan 0.000 0.495 46 L N -0.431 120.945 121.223 0.255 0.000 2.043 46 L HA -0.214 4.124 4.340 -0.004 0.000 0.212 46 L C -0.473 176.454 176.870 0.095 0.000 1.075 46 L CA 1.438 56.390 54.840 0.186 0.000 0.752 46 L CB -2.015 40.180 42.059 0.227 0.000 0.891 46 L HN 0.205 nan 8.230 nan 0.000 0.432 47 P HA -0.155 nan 4.420 nan 0.000 0.218 47 P C 1.118 178.413 177.300 -0.008 0.000 1.149 47 P CA 1.335 64.452 63.100 0.028 0.000 0.817 47 P CB -0.003 31.708 31.700 0.018 0.000 0.785 48 K N -1.092 119.285 120.400 -0.038 0.000 2.458 48 K HA 0.144 4.462 4.320 -0.004 0.000 0.194 48 K C 0.399 176.937 176.600 -0.104 0.000 1.024 48 K CA 0.169 56.402 56.287 -0.090 0.000 1.108 48 K CB -0.056 32.349 32.500 -0.158 0.000 0.846 48 K HN 0.245 nan 8.250 nan 0.000 0.518 49 L N 0.891 122.076 121.223 -0.064 0.000 2.334 49 L HA 0.201 4.539 4.340 -0.004 0.000 0.273 49 L C 0.668 177.515 176.870 -0.038 0.000 1.013 49 L CA -0.760 54.037 54.840 -0.072 0.000 0.816 49 L CB 1.835 43.862 42.059 -0.054 0.000 1.278 49 L HN 0.034 nan 8.230 nan 0.000 0.431 50 S N 0.141 115.813 115.700 -0.046 0.000 2.606 50 S HA -0.003 4.465 4.470 -0.004 0.000 0.257 50 S C 1.330 175.932 174.600 0.004 0.000 1.327 50 S CA 0.200 58.386 58.200 -0.022 0.000 0.984 50 S CB 1.273 64.455 63.200 -0.030 0.000 0.941 50 S HN 0.700 nan 8.310 nan 0.000 0.576 51 S N 0.954 116.666 115.700 0.020 0.000 2.374 51 S HA -0.180 4.288 4.470 -0.004 0.000 0.227 51 S C 1.997 176.632 174.600 0.059 0.000 1.037 51 S CA 1.701 59.928 58.200 0.045 0.000 1.024 51 S CB -1.361 61.867 63.200 0.048 0.000 0.861 51 S HN 0.997 nan 8.310 nan 0.000 0.456 52 A N 2.360 125.209 122.820 0.049 0.000 1.841 52 A HA -0.013 4.305 4.320 -0.004 0.000 0.214 52 A C 1.665 179.299 177.584 0.084 0.000 1.195 52 A CA 1.450 53.533 52.037 0.077 0.000 0.611 52 A CB -0.684 18.355 19.000 0.065 0.000 0.835 52 A HN 0.708 nan 8.150 nan 0.000 0.443 53 N N 0.510 119.232 118.700 0.036 0.000 2.375 53 N HA -0.031 4.707 4.740 -0.004 0.000 0.220 53 N C 0.650 175.993 175.510 -0.279 0.000 1.170 53 N CA 0.184 53.222 53.050 -0.019 0.000 0.833 53 N CB -0.026 38.546 38.487 0.142 0.000 1.069 53 N HN 0.497 nan 8.380 nan 0.000 0.479 54 N N 0.752 119.356 118.700 -0.159 0.000 2.305 54 N HA -0.005 4.732 4.740 -0.004 0.000 0.179 54 N C 0.659 176.177 175.510 0.014 0.000 1.019 54 N CA 0.624 53.633 53.050 -0.067 0.000 0.869 54 N CB 0.106 38.629 38.487 0.058 0.000 1.000 54 N HN 0.246 nan 8.380 nan 0.000 0.431 55 F N -1.877 118.191 119.950 0.197 0.000 2.547 55 F HA -0.341 4.184 4.527 -0.003 0.000 0.660 55 F C -0.336 175.568 175.800 0.173 0.000 0.492 55 F CA 0.979 59.079 58.000 0.167 0.000 0.849 55 F CB -0.797 38.313 39.000 0.182 0.000 1.694 55 F HN 0.144 nan 8.300 nan 0.000 0.262 56 Q N 1.359 121.391 119.800 0.387 0.000 2.285 56 Q HA 0.800 5.138 4.340 -0.004 0.000 0.269 56 Q C -0.748 175.401 176.000 0.248 0.000 1.030 56 Q CA -0.538 55.477 55.803 0.352 0.000 0.788 56 Q CB 3.204 32.211 28.738 0.448 0.000 1.266 56 Q HN 0.404 nan 8.270 nan 0.000 0.438 57 M N 2.104 121.837 119.600 0.221 0.000 2.529 57 M HA 0.125 4.603 4.480 -0.004 0.000 0.291 57 M C -2.107 174.281 176.300 0.145 0.000 1.093 57 M CA -0.447 54.946 55.300 0.155 0.000 0.890 57 M CB 2.197 34.876 32.600 0.132 0.000 1.794 57 M HN 0.818 nan 8.290 nan 0.000 0.524 58 D N 2.565 123.029 120.400 0.107 0.000 2.529 58 D HA 0.352 4.990 4.640 -0.004 0.000 0.273 58 D C 0.536 176.884 176.300 0.080 0.000 1.197 58 D CA -0.370 53.687 54.000 0.095 0.000 1.070 58 D CB 0.597 41.439 40.800 0.070 0.000 1.134 58 D HN 0.693 nan 8.370 nan 0.000 0.590 59 K N -0.842 119.600 120.400 0.069 0.000 2.280 59 K HA -0.072 4.246 4.320 -0.004 0.000 0.202 59 K C 0.386 177.015 176.600 0.047 0.000 1.047 59 K CA 0.825 57.148 56.287 0.060 0.000 0.942 59 K CB -0.506 32.025 32.500 0.052 0.000 0.739 59 K HN 0.221 nan 8.250 nan 0.000 0.457 60 N N 1.525 120.250 118.700 0.042 0.000 2.313 60 N HA 0.008 4.745 4.740 -0.004 0.000 0.207 60 N C -0.648 174.882 175.510 0.033 0.000 1.141 60 N CA 0.054 53.123 53.050 0.032 0.000 0.830 60 N CB 0.226 38.728 38.487 0.025 0.000 1.008 60 N HN 0.164 nan 8.380 nan 0.000 0.481 61 N N 0.708 119.434 118.700 0.042 0.000 2.725 61 N HA -0.181 4.557 4.740 -0.004 0.000 0.249 61 N C -0.948 174.585 175.510 0.039 0.000 1.103 61 N CA 0.925 54.000 53.050 0.043 0.000 0.707 61 N CB -1.166 37.341 38.487 0.032 0.000 1.043 61 N HN 0.478 nan 8.380 nan 0.000 0.553 62 K N 0.424 120.848 120.400 0.040 0.000 2.211 62 K HA 0.317 4.635 4.320 -0.004 0.000 0.275 62 K C 0.275 176.901 176.600 0.044 0.000 1.024 62 K CA -1.036 55.271 56.287 0.032 0.000 0.887 62 K CB 1.785 34.298 32.500 0.022 0.000 1.084 62 K HN 0.062 nan 8.250 nan 0.000 0.463 63 L N 4.017 125.266 121.223 0.043 0.000 2.525 63 L HA 0.033 4.371 4.340 -0.004 0.000 0.278 63 L C -0.714 176.177 176.870 0.035 0.000 1.218 63 L CA 0.472 55.348 54.840 0.060 0.000 0.878 63 L CB 0.216 42.310 42.059 0.059 0.000 1.127 63 L HN 0.482 nan 8.230 nan 0.000 0.492 64 L N 5.039 126.296 121.223 0.057 0.000 2.334 64 L HA 0.532 4.869 4.340 -0.004 0.000 0.275 64 L C -0.191 176.609 176.870 -0.117 0.000 1.036 64 L CA -0.590 54.217 54.840 -0.056 0.000 0.807 64 L CB 1.315 43.368 42.059 -0.010 0.000 1.231 64 L HN 0.611 nan 8.230 nan 0.000 0.438 65 E N 1.479 121.470 120.200 -0.348 0.000 2.224 65 E HA 0.258 4.606 4.350 -0.004 0.000 0.265 65 E C -1.020 175.225 176.600 -0.593 0.000 0.878 65 E CA -0.336 55.889 56.400 -0.292 0.000 0.759 65 E CB 2.062 31.623 29.700 -0.231 0.000 1.164 65 E HN 0.487 nan 8.360 nan 0.000 0.414 66 Y N 0.271 120.530 120.300 -0.067 0.000 2.585 66 Y HA 0.136 4.684 4.550 -0.003 0.000 0.272 66 Y C 1.420 177.240 175.900 -0.133 0.000 1.119 66 Y CA -0.260 57.772 58.100 -0.113 0.000 1.255 66 Y CB 0.389 38.815 38.460 -0.057 0.000 1.284 66 Y HN 0.499 nan 8.280 nan 0.000 0.499 67 F N 1.828 121.874 119.950 0.160 0.000 2.604 67 F HA -0.066 4.459 4.527 -0.004 0.000 0.298 67 F C 2.247 178.077 175.800 0.051 0.000 1.131 67 F CA 0.992 59.105 58.000 0.188 0.000 1.457 67 F CB -0.151 38.937 39.000 0.147 0.000 1.095 67 F HN 0.038 nan 8.300 nan 0.000 0.574 68 K N 0.413 120.775 120.400 -0.064 0.000 2.155 68 K HA -0.127 4.191 4.320 -0.004 0.000 0.203 68 K C 1.617 178.076 176.600 -0.235 0.000 1.052 68 K CA 1.405 57.574 56.287 -0.196 0.000 0.948 68 K CB -0.909 31.384 32.500 -0.345 0.000 0.728 68 K HN 0.257 nan 8.250 nan 0.000 0.448 69 F N 0.161 120.012 119.950 -0.164 0.000 2.451 69 F HA 0.022 4.547 4.527 -0.004 0.000 0.299 69 F C 1.214 176.682 175.800 -0.553 0.000 1.101 69 F CA 0.497 58.237 58.000 -0.433 0.000 1.436 69 F CB -0.035 38.543 39.000 -0.702 0.000 1.074 69 F HN -0.069 nan 8.300 nan 0.000 0.553 70 F N -1.274 118.720 119.950 0.074 0.000 2.706 70 F HA 0.227 4.752 4.527 -0.003 0.000 0.308 70 F C 0.114 175.952 175.800 0.064 0.000 1.095 70 F CA -0.203 57.804 58.000 0.013 0.000 1.244 70 F CB 0.526 39.568 39.000 0.070 0.000 1.063 70 F HN -0.424 nan 8.300 nan 0.000 0.582 71 V N 1.317 121.349 119.914 0.198 0.000 2.407 71 V HA 0.223 4.341 4.120 -0.004 0.000 0.291 71 V C -1.544 174.592 176.094 0.070 0.000 1.018 71 V CA -1.498 60.892 62.300 0.151 0.000 0.842 71 V CB 1.543 33.455 31.823 0.149 0.000 0.996 71 V HN -0.112 nan 8.190 nan 0.000 0.426 72 P HA -0.104 nan 4.420 nan 0.000 0.214 72 P C 0.238 177.549 177.300 0.018 0.000 1.163 72 P CA 1.459 64.579 63.100 0.032 0.000 0.889 72 P CB 0.261 31.985 31.700 0.041 0.000 0.790 73 K N -1.045 119.369 120.400 0.022 0.000 2.313 73 K HA 0.405 4.723 4.320 -0.004 0.000 0.235 73 K C -0.159 176.443 176.600 0.004 0.000 1.035 73 K CA -1.020 55.273 56.287 0.009 0.000 0.868 73 K CB 1.349 33.855 32.500 0.009 0.000 1.232 73 K HN -0.231 nan 8.250 nan 0.000 0.459 74 K N 1.249 121.646 120.400 -0.005 0.000 2.298 74 K HA 0.254 4.572 4.320 -0.004 0.000 0.280 74 K C -0.413 176.178 176.600 -0.014 0.000 1.032 74 K CA -0.114 56.167 56.287 -0.011 0.000 0.958 74 K CB 0.265 32.756 32.500 -0.014 0.000 0.978 74 K HN 0.324 nan 8.250 nan 0.000 0.472 75 I N 1.367 121.924 120.570 -0.022 0.000 2.785 75 I HA 0.405 4.573 4.170 -0.004 0.000 0.302 75 I C -0.684 175.405 176.117 -0.047 0.000 1.069 75 I CA -0.831 60.448 61.300 -0.035 0.000 1.045 75 I CB 1.885 39.858 38.000 -0.044 0.000 1.236 75 I HN 0.298 nan 8.210 nan 0.000 0.429 76 K N 4.117 124.485 120.400 -0.053 0.000 2.371 76 K HA 0.738 5.056 4.320 -0.004 0.000 0.251 76 K C -0.946 175.605 176.600 -0.081 0.000 0.934 76 K CA -1.113 55.140 56.287 -0.058 0.000 0.798 76 K CB 2.330 34.804 32.500 -0.044 0.000 1.204 76 K HN 0.368 nan 8.250 nan 0.000 0.427 77 R N 0.309 120.753 120.500 -0.093 0.000 2.919 77 R HA 0.376 4.714 4.340 -0.004 0.000 0.260 77 R C -0.277 175.955 176.300 -0.113 0.000 1.067 77 R CA -0.942 55.081 56.100 -0.128 0.000 1.003 77 R CB 1.493 31.686 30.300 -0.178 0.000 1.192 77 R HN 0.910 nan 8.270 nan 0.000 0.488 78 S N 0.438 116.050 115.700 -0.147 0.000 2.573 78 S HA 0.106 4.573 4.470 -0.004 0.000 0.277 78 S C -1.737 172.803 174.600 -0.101 0.000 1.346 78 S CA -0.747 57.369 58.200 -0.140 0.000 1.034 78 S CB 0.659 63.755 63.200 -0.175 0.000 0.879 78 S HN 0.293 nan 8.310 nan 0.000 0.528 79 P HA -0.028 nan 4.420 nan 0.000 0.219 79 P C 1.502 178.900 177.300 0.163 0.000 1.146 79 P CA 0.559 63.702 63.100 0.072 0.000 0.808 79 P CB -0.158 31.575 31.700 0.053 0.000 0.779 80 C N -1.397 117.930 119.300 0.044 0.000 2.475 80 C HA 0.017 4.475 4.460 -0.004 0.000 0.279 80 C C 2.486 177.493 174.990 0.028 0.000 1.322 80 C CA 0.316 59.433 59.018 0.164 0.000 1.734 80 C CB -1.612 26.184 27.740 0.093 0.000 2.005 80 C HN 0.068 nan 8.230 nan 0.000 0.495 81 I N 1.306 121.735 120.570 -0.234 0.000 2.286 81 I HA -0.127 4.041 4.170 -0.004 0.000 0.245 81 I C 2.266 178.331 176.117 -0.087 0.000 1.104 81 I CA 1.191 62.217 61.300 -0.457 0.000 1.397 81 I CB -0.564 37.082 38.000 -0.590 0.000 1.072 81 I HN 0.387 nan 8.210 nan 0.000 0.417 82 N N 0.842 119.483 118.700 -0.098 0.000 2.069 82 N HA -0.218 4.519 4.740 -0.004 0.000 0.191 82 N C 1.941 177.303 175.510 -0.246 0.000 1.031 82 N CA 1.312 54.263 53.050 -0.165 0.000 0.852 82 N CB -0.357 38.074 38.487 -0.095 0.000 1.018 82 N HN 0.293 nan 8.380 nan 0.000 0.423 83 R N 0.290 120.745 120.500 -0.075 0.000 2.081 83 R HA -0.068 4.270 4.340 -0.004 0.000 0.235 83 R C 2.175 178.597 176.300 0.203 0.000 1.131 83 R CA 1.575 57.673 56.100 -0.004 0.000 0.960 83 R CB -0.589 29.573 30.300 -0.230 0.000 0.856 83 R HN 0.225 nan 8.270 nan 0.000 0.436 84 G N -0.604 108.301 108.800 0.175 0.000 2.442 84 G HA2 -0.280 3.678 3.960 -0.004 0.000 0.219 84 G HA3 -0.280 3.678 3.960 -0.004 0.000 0.219 84 G C 0.989 175.967 174.900 0.130 0.000 1.141 84 G CA 0.803 45.950 45.100 0.077 0.000 0.763 84 G HN 0.378 nan 8.290 nan 0.000 0.554 85 Y N -1.653 118.703 120.300 0.094 0.000 2.420 85 Y HA 0.099 4.647 4.550 -0.003 0.000 0.292 85 Y C 2.380 178.345 175.900 0.109 0.000 1.119 85 Y CA 0.401 58.544 58.100 0.073 0.000 1.229 85 Y CB -0.162 38.284 38.460 -0.023 0.000 1.026 85 Y HN 0.374 nan 8.280 nan 0.000 0.554 86 W N -0.117 121.223 121.300 0.066 0.000 2.381 86 W HA -0.206 4.452 4.660 -0.003 0.000 0.301 86 W C 1.793 178.501 176.519 0.315 0.000 1.205 86 W CA 1.189 58.616 57.345 0.137 0.000 1.285 86 W CB -0.418 29.041 29.460 -0.001 0.000 1.133 86 W HN 0.010 nan 8.180 nan 0.000 0.521 87 L N 1.495 123.038 121.223 0.534 0.000 2.131 87 L HA -0.135 4.202 4.340 -0.004 0.000 0.210 87 L C 2.679 179.681 176.870 0.221 0.000 1.092 87 L CA 2.184 57.295 54.840 0.453 0.000 0.759 87 L CB -1.144 41.274 42.059 0.597 0.000 0.903 87 L HN 0.109 nan 8.230 nan 0.000 0.435 88 R N -1.123 119.454 120.500 0.129 0.000 2.090 88 R HA -0.092 4.246 4.340 -0.004 0.000 0.228 88 R C 2.190 178.489 176.300 -0.002 0.000 1.110 88 R CA 1.183 57.302 56.100 0.032 0.000 0.973 88 R CB -0.157 30.095 30.300 -0.080 0.000 0.869 88 R HN 0.370 nan 8.270 nan 0.000 0.440 89 L N -0.360 120.849 121.223 -0.024 0.000 2.072 89 L HA -0.078 4.260 4.340 -0.004 0.000 0.205 89 L C 2.242 178.947 176.870 -0.275 0.000 1.079 89 L CA 0.868 55.619 54.840 -0.149 0.000 0.752 89 L CB -0.479 41.515 42.059 -0.108 0.000 0.906 89 L HN 0.172 nan 8.230 nan 0.000 0.436 90 F N 0.990 120.743 119.950 -0.327 0.000 2.186 90 F HA -0.152 4.373 4.527 -0.003 0.000 0.299 90 F C 2.366 178.113 175.800 -0.087 0.000 1.090 90 F CA 0.880 58.753 58.000 -0.213 0.000 1.307 90 F CB -0.262 38.386 39.000 -0.586 0.000 1.019 90 F HN -0.007 nan 8.300 nan 0.000 0.489 91 A N 1.119 123.900 122.820 -0.065 0.000 1.841 91 A HA -0.173 4.144 4.320 -0.004 0.000 0.216 91 A C 2.176 179.675 177.584 -0.142 0.000 1.199 91 A CA 2.052 54.048 52.037 -0.068 0.000 0.621 91 A CB -1.123 17.910 19.000 0.055 0.000 0.835 91 A HN 0.342 nan 8.150 nan 0.000 0.445 92 I N -0.291 120.203 120.570 -0.128 0.000 2.179 92 I HA -0.179 3.989 4.170 -0.004 0.000 0.242 92 I C 2.489 178.492 176.117 -0.189 0.000 1.088 92 I CA 1.826 63.042 61.300 -0.141 0.000 1.357 92 I CB -1.369 36.562 38.000 -0.114 0.000 1.051 92 I HN 0.376 nan 8.210 nan 0.000 0.409 93 R N 1.858 122.200 120.500 -0.263 0.000 2.091 93 R HA -0.157 4.181 4.340 -0.004 0.000 0.238 93 R C 2.543 178.744 176.300 -0.164 0.000 1.136 93 R CA 2.228 58.174 56.100 -0.257 0.000 0.959 93 R CB -0.864 29.189 30.300 -0.411 0.000 0.856 93 R HN 0.505 nan 8.270 nan 0.000 0.437 94 S N -0.047 115.486 115.700 -0.278 0.000 2.368 94 S HA -0.108 4.360 4.470 -0.004 0.000 0.225 94 S C 1.958 176.508 174.600 -0.084 0.000 1.030 94 S CA 0.644 58.725 58.200 -0.199 0.000 0.999 94 S CB -0.269 62.617 63.200 -0.523 0.000 0.844 94 S HN 0.202 nan 8.310 nan 0.000 0.459 95 R N 1.614 122.037 120.500 -0.129 0.000 2.070 95 R HA 0.199 4.537 4.340 -0.004 0.000 0.232 95 R C 2.456 178.635 176.300 -0.202 0.000 1.138 95 R CA 1.390 57.398 56.100 -0.154 0.000 0.936 95 R CB -1.735 28.444 30.300 -0.202 0.000 0.839 95 R HN 0.486 nan 8.270 nan 0.000 0.429 96 L N 1.146 122.276 121.223 -0.155 0.000 2.081 96 L HA -0.247 4.091 4.340 -0.004 0.000 0.212 96 L C 1.961 178.823 176.870 -0.014 0.000 1.080 96 L CA 1.289 56.080 54.840 -0.081 0.000 0.754 96 L CB -0.533 41.542 42.059 0.027 0.000 0.893 96 L HN 0.196 nan 8.230 nan 0.000 0.433 97 N N -0.305 118.409 118.700 0.023 0.000 2.120 97 N HA -0.160 4.578 4.740 -0.004 0.000 0.188 97 N C 2.118 177.573 175.510 -0.092 0.000 1.024 97 N CA 1.693 54.773 53.050 0.050 0.000 0.852 97 N CB -0.353 38.221 38.487 0.146 0.000 1.003 97 N HN 0.374 nan 8.380 nan 0.000 0.424 98 S N 0.028 115.520 115.700 -0.347 0.000 2.419 98 S HA -0.040 4.428 4.470 -0.004 0.000 0.233 98 S C 2.018 176.546 174.600 -0.120 0.000 1.016 98 S CA 0.656 58.489 58.200 -0.610 0.000 0.974 98 S CB -0.459 61.877 63.200 -1.439 0.000 0.786 98 S HN 0.266 nan 8.310 nan 0.000 0.492 99 I N 0.264 120.765 120.570 -0.116 0.000 2.277 99 I HA -0.014 4.154 4.170 -0.004 0.000 0.243 99 I C 2.120 178.171 176.117 -0.110 0.000 1.094 99 I CA 0.688 61.917 61.300 -0.117 0.000 1.393 99 I CB -0.270 37.459 38.000 -0.451 0.000 1.078 99 I HN 0.226 nan 8.210 nan 0.000 0.417 100 I N 0.929 121.382 120.570 -0.195 0.000 2.179 100 I HA -0.269 3.899 4.170 -0.004 0.000 0.242 100 I C 2.414 178.441 176.117 -0.151 0.000 1.088 100 I CA 1.557 62.704 61.300 -0.254 0.000 1.357 100 I CB -0.659 37.032 38.000 -0.515 0.000 1.051 100 I HN 0.183 nan 8.210 nan 0.000 0.409 101 E N -0.392 119.750 120.200 -0.097 0.000 2.097 101 E HA -0.315 4.033 4.350 -0.004 0.000 0.196 101 E C 2.171 178.760 176.600 -0.018 0.000 1.000 101 E CA 1.569 57.948 56.400 -0.035 0.000 0.804 101 E CB -0.094 29.622 29.700 0.027 0.000 0.740 101 E HN 0.551 nan 8.360 nan 0.000 0.454 102 Q N -0.024 119.780 119.800 0.006 0.000 2.200 102 Q HA 0.003 4.341 4.340 -0.004 0.000 0.197 102 Q C 0.203 176.230 176.000 0.045 0.000 0.953 102 Q CA 0.446 56.260 55.803 0.017 0.000 0.851 102 Q CB 0.470 29.211 28.738 0.005 0.000 0.938 102 Q HN 0.030 nan 8.270 nan 0.000 0.488 103 T N 3.934 118.533 114.554 0.075 0.000 2.819 103 T HA 0.000 4.348 4.350 -0.004 0.000 0.282 103 T C -2.398 172.306 174.700 0.008 0.000 1.013 103 T CA -0.672 61.464 62.100 0.059 0.000 1.159 103 T CB 0.412 69.281 68.868 0.001 0.000 1.007 103 T HN 0.199 nan 8.240 nan 0.000 0.514 104 P HA 0.064 nan 4.420 nan 0.000 0.267 104 P C 0.499 177.784 177.300 -0.025 0.000 1.201 104 P CA -0.153 62.941 63.100 -0.009 0.000 0.775 104 P CB 0.473 32.169 31.700 -0.008 0.000 0.854 105 Q N 1.284 121.068 119.800 -0.026 0.000 2.515 105 Q HA -0.090 4.247 4.340 -0.004 0.000 0.212 105 Q C 0.631 176.612 176.000 -0.031 0.000 0.970 105 Q CA 1.066 56.850 55.803 -0.031 0.000 0.941 105 Q CB -0.387 28.336 28.738 -0.025 0.000 0.998 105 Q HN 0.411 nan 8.270 nan 0.000 0.518 106 D N -1.663 118.719 120.400 -0.030 0.000 2.369 106 D HA 0.027 4.665 4.640 -0.004 0.000 0.211 106 D C -0.324 175.952 176.300 -0.039 0.000 1.077 106 D CA 0.003 53.984 54.000 -0.031 0.000 0.842 106 D CB 0.309 41.094 40.800 -0.026 0.000 0.947 106 D HN 0.057 nan 8.370 nan 0.000 0.509 107 K N 1.265 121.637 120.400 -0.047 0.000 2.235 107 K HA 0.336 4.654 4.320 -0.004 0.000 0.266 107 K C 0.026 176.582 176.600 -0.074 0.000 0.980 107 K CA -0.677 55.574 56.287 -0.060 0.000 0.849 107 K CB 2.495 34.957 32.500 -0.063 0.000 1.098 107 K HN -0.160 nan 8.250 nan 0.000 0.445 108 K N 1.955 122.308 120.400 -0.079 0.000 2.336 108 K HA 0.237 4.555 4.320 -0.004 0.000 0.262 108 K C -0.041 176.483 176.600 -0.127 0.000 0.992 108 K CA 0.231 56.460 56.287 -0.096 0.000 0.927 108 K CB 0.466 32.911 32.500 -0.092 0.000 0.956 108 K HN 0.450 nan 8.250 nan 0.000 0.495 109 I N 1.929 122.402 120.570 -0.161 0.000 2.533 109 I HA 0.251 4.418 4.170 -0.004 0.000 0.290 109 I C -1.046 174.901 176.117 -0.284 0.000 1.056 109 I CA -1.121 60.052 61.300 -0.213 0.000 1.057 109 I CB 2.095 39.956 38.000 -0.232 0.000 1.240 109 I HN 0.175 nan 8.210 nan 0.000 0.423 110 V N 6.568 126.293 119.914 -0.314 0.000 2.407 110 V HA 0.325 4.443 4.120 -0.004 0.000 0.291 110 V C -0.110 175.704 176.094 -0.468 0.000 1.018 110 V CA -0.732 61.335 62.300 -0.388 0.000 0.842 110 V CB 2.003 33.634 31.823 -0.319 0.000 0.996 110 V HN 0.395 nan 8.190 nan 0.000 0.426 111 V N 5.918 125.485 119.914 -0.579 0.000 2.385 111 V HA 0.301 4.419 4.120 -0.004 0.000 0.269 111 V C 0.070 175.962 176.094 -0.338 0.000 1.043 111 V CA -0.399 61.617 62.300 -0.473 0.000 0.906 111 V CB 1.588 33.131 31.823 -0.465 0.000 0.995 111 V HN 0.635 nan 8.190 nan 0.000 0.467 112 V N 4.981 124.660 119.914 -0.391 0.000 2.318 112 V HA 0.312 4.430 4.120 -0.004 0.000 0.271 112 V C 0.355 176.402 176.094 -0.078 0.000 1.030 112 V CA -0.642 61.511 62.300 -0.245 0.000 0.844 112 V CB 1.168 32.764 31.823 -0.379 0.000 1.015 112 V HN 0.800 nan 8.190 nan 0.000 0.460 113 N N 5.190 123.888 118.700 -0.003 0.000 2.439 113 N HA 0.297 5.035 4.740 -0.004 0.000 0.243 113 N C -0.520 175.023 175.510 0.055 0.000 1.088 113 N CA -0.181 52.885 53.050 0.025 0.000 0.940 113 N CB 0.706 39.223 38.487 0.050 0.000 1.180 113 N HN 0.609 nan 8.380 nan 0.000 0.505 114 L N 2.320 123.575 121.223 0.053 0.000 2.363 114 L HA 0.315 4.653 4.340 -0.004 0.000 0.286 114 L C 1.222 178.116 176.870 0.040 0.000 1.106 114 L CA -0.479 54.397 54.840 0.059 0.000 0.859 114 L CB 0.388 42.474 42.059 0.044 0.000 1.223 114 L HN 0.672 nan 8.230 nan 0.000 0.446 115 G N 2.122 110.942 108.800 0.034 0.000 2.401 115 G HA2 -0.248 3.710 3.960 -0.004 0.000 0.283 115 G HA3 -0.248 3.710 3.960 -0.004 0.000 0.283 115 G C 0.803 175.741 174.900 0.062 0.000 1.117 115 G CA -0.039 45.086 45.100 0.041 0.000 1.051 115 G HN 0.946 nan 8.290 nan 0.000 0.510 116 C N -0.457 118.879 119.300 0.060 0.000 2.419 116 C HA 0.439 4.897 4.460 -0.004 0.000 0.281 116 C C 2.652 177.671 174.990 0.048 0.000 1.336 116 C CA 0.751 59.807 59.018 0.062 0.000 1.770 116 C CB -1.282 26.505 27.740 0.078 0.000 1.929 116 C HN 2.581 nan 8.230 nan 0.000 0.509 117 G N 0.208 109.022 108.800 0.023 0.000 2.575 117 G HA2 -0.327 3.630 3.960 -0.004 0.000 0.267 117 G HA3 -0.327 3.630 3.960 -0.004 0.000 0.267 117 G C 0.072 174.948 174.900 -0.042 0.000 1.264 117 G CA 0.580 45.632 45.100 -0.079 0.000 0.935 117 G HN 0.688 nan 8.290 nan 0.000 0.568 118 Y N 0.948 121.196 120.300 -0.086 0.000 2.462 118 Y HA 0.227 4.775 4.550 -0.003 0.000 0.293 118 Y C 1.470 177.024 175.900 -0.577 0.000 1.195 118 Y CA -0.150 57.717 58.100 -0.389 0.000 1.276 118 Y CB 0.194 38.471 38.460 -0.306 0.000 1.082 118 Y HN 0.480 nan 8.280 nan 0.000 0.514 119 D N 2.175 122.519 120.400 -0.093 0.000 2.520 119 D HA -0.055 4.582 4.640 -0.004 0.000 0.243 119 D C -2.056 174.149 176.300 -0.159 0.000 1.160 119 D CA -0.977 52.980 54.000 -0.071 0.000 0.877 119 D CB 0.958 41.775 40.800 0.029 0.000 1.150 119 D HN 0.100 nan 8.370 nan 0.000 0.494 120 P HA 0.086 nan 4.420 nan 0.000 0.263 120 P C 1.145 178.359 177.300 -0.145 0.000 1.448 120 P CA -0.392 62.710 63.100 0.003 0.000 0.983 120 P CB 0.307 32.010 31.700 0.004 0.000 1.481 121 L N 1.412 122.499 121.223 -0.227 0.000 2.051 121 L HA -0.119 4.219 4.340 -0.004 0.000 0.214 121 L C -0.763 175.779 176.870 -0.547 0.000 1.076 121 L CA 2.810 57.466 54.840 -0.306 0.000 0.758 121 L CB -2.086 39.863 42.059 -0.182 0.000 0.890 121 L HN 0.055 nan 8.230 nan 0.000 0.433 122 P HA -0.216 nan 4.420 nan 0.000 0.215 122 P C 1.671 178.335 177.300 -1.061 0.000 1.163 122 P CA 1.888 64.132 63.100 -1.428 0.000 0.894 122 P CB -0.193 30.832 31.700 -1.126 0.000 0.791 123 F N -0.578 119.041 119.950 -0.553 0.000 2.186 123 F HA -0.123 4.402 4.527 -0.003 0.000 0.299 123 F C 2.816 178.279 175.800 -0.561 0.000 1.090 123 F CA 1.149 58.896 58.000 -0.421 0.000 1.307 123 F CB -1.269 37.589 39.000 -0.237 0.000 1.019 123 F HN -0.020 nan 8.300 nan 0.000 0.489 124 Q N 1.016 120.419 119.800 -0.662 0.000 2.084 124 Q HA -0.183 4.155 4.340 -0.004 0.000 0.202 124 Q C 2.055 177.798 176.000 -0.429 0.000 0.978 124 Q CA 1.671 56.902 55.803 -0.954 0.000 0.844 124 Q CB -0.243 28.044 28.738 -0.752 0.000 0.898 124 Q HN 0.494 nan 8.270 nan 0.000 0.426 125 L N 0.155 121.133 121.223 -0.408 0.000 2.179 125 L HA -0.085 4.252 4.340 -0.004 0.000 0.208 125 L C 2.331 179.196 176.870 -0.008 0.000 1.096 125 L CA 0.375 55.041 54.840 -0.290 0.000 0.779 125 L CB -0.103 41.709 42.059 -0.412 0.000 0.922 125 L HN 0.274 nan 8.230 nan 0.000 0.443 126 L N -0.903 120.277 121.223 -0.073 0.000 2.127 126 L HA -0.047 4.291 4.340 -0.004 0.000 0.203 126 L C 0.799 177.754 176.870 0.143 0.000 1.080 126 L CA 0.062 54.960 54.840 0.098 0.000 0.768 126 L CB -0.264 41.775 42.059 -0.033 0.000 0.924 126 L HN 0.185 nan 8.230 nan 0.000 0.444 127 D N 0.597 121.047 120.400 0.084 0.000 2.581 127 D HA -0.115 4.523 4.640 -0.004 0.000 0.238 127 D C 1.273 177.583 176.300 0.016 0.000 1.145 127 D CA 0.504 54.568 54.000 0.107 0.000 0.866 127 D CB 1.130 42.081 40.800 0.251 0.000 1.151 127 D HN 0.195 nan 8.370 nan 0.000 0.500 128 T N 0.660 115.088 114.554 -0.209 0.000 3.088 128 T HA -0.036 4.311 4.350 -0.004 0.000 0.259 128 T C 1.379 175.964 174.700 -0.192 0.000 1.122 128 T CA 0.128 61.875 62.100 -0.587 0.000 1.095 128 T CB 0.009 68.622 68.868 -0.425 0.000 0.930 128 T HN 0.282 nan 8.240 nan 0.000 0.508 129 N N 2.263 120.957 118.700 -0.010 0.000 2.142 129 N HA -0.048 4.690 4.740 -0.004 0.000 0.186 129 N C 0.760 176.356 175.510 0.144 0.000 1.023 129 N CA 0.690 53.781 53.050 0.067 0.000 0.852 129 N CB -0.629 37.907 38.487 0.081 0.000 0.998 129 N HN 0.394 nan 8.380 nan 0.000 0.424 130 N N 2.141 120.975 118.700 0.224 0.000 2.399 130 N HA -0.046 4.691 4.740 -0.004 0.000 0.284 130 N C 1.048 176.750 175.510 0.320 0.000 1.283 130 N CA -0.056 53.163 53.050 0.282 0.000 0.972 130 N CB -0.030 38.653 38.487 0.326 0.000 1.328 130 N HN 0.274 nan 8.380 nan 0.000 0.486 131 I N 0.010 120.726 120.570 0.243 0.000 3.291 131 I HA 0.036 4.203 4.170 -0.004 0.000 0.279 131 I C 1.031 177.256 176.117 0.180 0.000 1.294 131 I CA 0.569 62.006 61.300 0.229 0.000 1.428 131 I CB 0.090 38.186 38.000 0.160 0.000 1.070 131 I HN 0.237 nan 8.210 nan 0.000 0.478 132 Q N 1.563 121.472 119.800 0.181 0.000 2.432 132 Q HA 0.105 4.443 4.340 -0.004 0.000 0.205 132 Q C 1.259 177.346 176.000 0.145 0.000 0.945 132 Q CA 1.024 56.927 55.803 0.168 0.000 0.924 132 Q CB 0.217 29.075 28.738 0.201 0.000 1.016 132 Q HN 0.741 nan 8.270 nan 0.000 0.503 133 S N -0.871 114.887 115.700 0.098 0.000 2.558 133 S HA 0.193 4.661 4.470 -0.004 0.000 0.238 133 S C 0.883 175.311 174.600 -0.287 0.000 1.183 133 S CA -0.556 57.655 58.200 0.018 0.000 1.185 133 S CB 0.770 63.930 63.200 -0.067 0.000 1.003 133 S HN 0.027 nan 8.310 nan 0.000 0.478 134 Q N 1.440 121.083 119.800 -0.261 0.000 2.245 134 Q HA -0.001 4.337 4.340 -0.004 0.000 0.201 134 Q C 1.510 177.332 176.000 -0.297 0.000 0.955 134 Q CA 1.242 56.738 55.803 -0.511 0.000 0.870 134 Q CB -0.145 28.584 28.738 -0.015 0.000 0.945 134 Q HN 0.794 nan 8.270 nan 0.000 0.461 135 Q N -0.957 118.785 119.800 -0.097 0.000 2.364 135 Q HA -0.144 4.194 4.340 -0.004 0.000 0.209 135 Q C 0.616 176.484 176.000 -0.221 0.000 0.977 135 Q CA 1.030 56.750 55.803 -0.140 0.000 0.885 135 Q CB 0.146 28.772 28.738 -0.185 0.000 0.941 135 Q HN 0.440 nan 8.270 nan 0.000 0.464 136 Y N -2.225 117.974 120.300 -0.170 0.000 2.449 136 Y HA 0.055 4.602 4.550 -0.004 0.000 0.254 136 Y C 1.690 177.620 175.900 0.050 0.000 1.140 136 Y CA 0.033 58.105 58.100 -0.047 0.000 1.272 136 Y CB 0.334 38.804 38.460 0.016 0.000 1.114 136 Y HN 0.159 nan 8.280 nan 0.000 0.525 137 H N 0.220 119.404 119.070 0.190 0.000 2.387 137 H HA -0.128 4.426 4.556 -0.003 0.000 0.299 137 H C 1.046 176.429 175.328 0.092 0.000 1.090 137 H CA 1.624 57.750 56.048 0.130 0.000 1.332 137 H CB -0.049 29.773 29.762 0.101 0.000 1.386 137 H HN 0.410 nan 8.280 nan 0.000 0.516 138 D N 0.137 120.642 120.400 0.175 0.000 2.232 138 D HA -0.032 4.606 4.640 -0.004 0.000 0.220 138 D C 1.786 178.120 176.300 0.056 0.000 0.982 138 D CA 0.825 54.884 54.000 0.097 0.000 0.892 138 D CB 0.026 40.862 40.800 0.059 0.000 1.040 138 D HN 0.471 nan 8.370 nan 0.000 0.463 139 R N 0.327 120.837 120.500 0.016 0.000 2.546 139 R HA 0.374 4.712 4.340 -0.004 0.000 0.320 139 R C -0.558 175.705 176.300 -0.061 0.000 1.021 139 R CA -0.147 55.937 56.100 -0.027 0.000 1.088 139 R CB 0.332 30.600 30.300 -0.053 0.000 1.278 139 R HN -0.135 nan 8.270 nan 0.000 0.557 140 V N 1.392 121.289 119.914 -0.027 0.000 2.513 140 V HA 0.531 4.649 4.120 -0.004 0.000 0.299 140 V C -0.204 175.834 176.094 -0.094 0.000 1.035 140 V CA -0.647 61.587 62.300 -0.110 0.000 0.889 140 V CB 1.830 33.618 31.823 -0.058 0.000 0.988 140 V HN 0.491 nan 8.190 nan 0.000 0.440 141 S N 3.234 118.758 115.700 -0.294 0.000 2.632 141 S HA 0.903 5.370 4.470 -0.004 0.000 0.289 141 S C -1.230 173.087 174.600 -0.472 0.000 1.115 141 S CA -0.707 57.393 58.200 -0.167 0.000 0.889 141 S CB 2.041 65.192 63.200 -0.081 0.000 1.116 141 S HN 0.310 nan 8.310 nan 0.000 0.486 142 F N -0.168 119.739 119.950 -0.073 0.000 2.576 142 F HA 0.671 5.196 4.527 -0.003 0.000 0.313 142 F C -0.538 175.119 175.800 -0.238 0.000 1.078 142 F CA -0.955 56.977 58.000 -0.114 0.000 0.921 142 F CB 1.786 40.774 39.000 -0.021 0.000 1.232 142 F HN 0.466 nan 8.300 nan 0.000 0.459 143 I N 2.419 122.944 120.570 -0.074 0.000 2.468 143 I HA 0.281 4.449 4.170 -0.004 0.000 0.285 143 I C -1.379 174.674 176.117 -0.107 0.000 1.039 143 I CA -0.643 60.549 61.300 -0.180 0.000 1.074 143 I CB 1.645 39.565 38.000 -0.133 0.000 1.228 143 I HN 0.394 nan 8.210 nan 0.000 0.436 144 D N 7.372 127.670 120.400 -0.170 0.000 2.249 144 D HA 0.549 5.187 4.640 -0.004 0.000 0.246 144 D C -0.360 175.949 176.300 0.016 0.000 1.114 144 D CA 0.144 54.133 54.000 -0.020 0.000 0.854 144 D CB 1.842 42.681 40.800 0.064 0.000 1.132 144 D HN 0.282 nan 8.370 nan 0.000 0.461 145 I N 2.272 122.876 120.570 0.056 0.000 2.436 145 I HA 0.361 4.529 4.170 -0.004 0.000 0.289 145 I C -0.173 175.975 176.117 0.052 0.000 1.010 145 I CA -0.487 60.857 61.300 0.073 0.000 1.098 145 I CB 1.716 39.790 38.000 0.122 0.000 1.266 145 I HN 0.140 nan 8.210 nan 0.000 0.434 146 D N 3.619 124.046 120.400 0.045 0.000 2.692 146 D HA 0.234 4.872 4.640 -0.004 0.000 0.290 146 D C -1.068 175.251 176.300 0.030 0.000 1.281 146 D CA -0.485 53.525 54.000 0.017 0.000 0.804 146 D CB 1.457 42.306 40.800 0.081 0.000 1.331 146 D HN 0.179 nan 8.370 nan 0.000 0.432 147 Y N 0.820 121.156 120.300 0.059 0.000 2.861 147 Y HA -0.094 4.454 4.550 -0.003 0.000 0.344 147 Y C 2.189 178.134 175.900 0.076 0.000 1.272 147 Y CA 1.224 59.358 58.100 0.057 0.000 1.502 147 Y CB 0.562 39.042 38.460 0.033 0.000 1.333 147 Y HN 0.285 nan 8.280 nan 0.000 0.634 148 S N 0.758 116.617 115.700 0.265 0.000 2.359 148 S HA -0.223 4.245 4.470 -0.004 0.000 0.224 148 S C 1.495 176.199 174.600 0.175 0.000 1.035 148 S CA 2.017 60.330 58.200 0.190 0.000 1.018 148 S CB -0.258 63.039 63.200 0.162 0.000 0.876 148 S HN 0.797 nan 8.310 nan 0.000 0.448 149 D N 1.315 121.812 120.400 0.162 0.000 2.097 149 D HA -0.080 4.558 4.640 -0.004 0.000 0.197 149 D C 1.994 178.387 176.300 0.156 0.000 0.984 149 D CA 1.030 55.106 54.000 0.127 0.000 0.826 149 D CB -0.716 40.130 40.800 0.075 0.000 0.973 149 D HN 0.450 nan 8.370 nan 0.000 0.460 150 L N 0.297 121.625 121.223 0.176 0.000 2.131 150 L HA -0.090 4.248 4.340 -0.004 0.000 0.210 150 L C 2.180 179.215 176.870 0.276 0.000 1.092 150 L CA 0.810 55.773 54.840 0.204 0.000 0.759 150 L CB -0.012 42.128 42.059 0.136 0.000 0.903 150 L HN -0.015 nan 8.230 nan 0.000 0.435 151 L N -0.797 120.562 121.223 0.226 0.000 2.131 151 L HA -0.141 4.196 4.340 -0.004 0.000 0.206 151 L C 2.557 179.545 176.870 0.197 0.000 1.087 151 L CA 0.885 55.859 54.840 0.223 0.000 0.767 151 L CB -0.403 41.770 42.059 0.191 0.000 0.917 151 L HN 0.180 nan 8.230 nan 0.000 0.441 152 K N 0.604 121.104 120.400 0.166 0.000 2.034 152 K HA -0.230 4.088 4.320 -0.004 0.000 0.214 152 K C 1.987 178.661 176.600 0.124 0.000 1.051 152 K CA 1.744 58.108 56.287 0.128 0.000 0.931 152 K CB -0.322 32.245 32.500 0.112 0.000 0.715 152 K HN 0.234 nan 8.250 nan 0.000 0.446 153 I N 0.905 121.569 120.570 0.156 0.000 2.142 153 I HA -0.307 3.861 4.170 -0.004 0.000 0.240 153 I C 2.588 178.773 176.117 0.113 0.000 1.078 153 I CA 1.302 62.684 61.300 0.135 0.000 1.343 153 I CB -0.338 37.782 38.000 0.200 0.000 1.046 153 I HN 0.182 nan 8.210 nan 0.000 0.405 154 K N 1.632 122.158 120.400 0.210 0.000 2.063 154 K HA -0.168 4.149 4.320 -0.004 0.000 0.208 154 K C 2.090 178.812 176.600 0.204 0.000 1.048 154 K CA 1.563 57.987 56.287 0.229 0.000 0.928 154 K CB -0.117 32.603 32.500 0.367 0.000 0.713 154 K HN 0.252 nan 8.250 nan 0.000 0.442 155 I N 0.739 121.413 120.570 0.174 0.000 2.394 155 I HA -0.202 3.966 4.170 -0.004 0.000 0.251 155 I C 2.422 178.572 176.117 0.056 0.000 1.136 155 I CA 1.155 62.535 61.300 0.134 0.000 1.425 155 I CB -0.168 37.895 38.000 0.105 0.000 1.079 155 I HN 0.343 nan 8.210 nan 0.000 0.425 156 E N 1.181 121.402 120.200 0.035 0.000 2.107 156 E HA -0.178 4.170 4.350 -0.004 0.000 0.191 156 E C 2.268 178.836 176.600 -0.053 0.000 0.982 156 E CA 0.889 57.283 56.400 -0.010 0.000 0.809 156 E CB 0.068 29.766 29.700 -0.004 0.000 0.756 156 E HN 0.383 nan 8.360 nan 0.000 0.459 157 L N 0.537 121.721 121.223 -0.066 0.000 1.976 157 L HA -0.206 4.132 4.340 -0.004 0.000 0.209 157 L C 2.478 179.214 176.870 -0.224 0.000 1.071 157 L CA 1.304 56.043 54.840 -0.169 0.000 0.746 157 L CB -0.460 41.466 42.059 -0.222 0.000 0.890 157 L HN 0.213 nan 8.230 nan 0.000 0.432 158 I N -0.346 120.134 120.570 -0.150 0.000 2.236 158 I HA -0.374 3.794 4.170 -0.004 0.000 0.249 158 I C 2.471 178.494 176.117 -0.157 0.000 1.102 158 I CA 1.559 62.751 61.300 -0.180 0.000 1.365 158 I CB -0.411 37.607 38.000 0.030 0.000 1.051 158 I HN 0.270 nan 8.210 nan 0.000 0.420 159 K N -0.104 120.239 120.400 -0.096 0.000 2.228 159 K HA -0.046 4.272 4.320 -0.004 0.000 0.202 159 K C 1.493 178.025 176.600 -0.115 0.000 1.051 159 K CA 1.623 57.860 56.287 -0.084 0.000 0.960 159 K CB -0.107 32.361 32.500 -0.053 0.000 0.743 159 K HN 0.443 nan 8.250 nan 0.000 0.458 160 T N -1.008 113.461 114.554 -0.141 0.000 3.264 160 T HA 0.362 4.710 4.350 -0.004 0.000 0.257 160 T C 0.297 174.877 174.700 -0.199 0.000 0.976 160 T CA -0.334 61.681 62.100 -0.142 0.000 0.908 160 T CB -0.466 68.332 68.868 -0.116 0.000 1.082 160 T HN -0.046 nan 8.240 nan 0.000 0.567 161 I N 1.273 121.685 120.570 -0.262 0.000 2.649 161 I HA 0.279 4.447 4.170 -0.004 0.000 0.275 161 I C -2.183 173.721 176.117 -0.354 0.000 1.153 161 I CA -2.526 58.551 61.300 -0.371 0.000 1.069 161 I CB 2.363 39.999 38.000 -0.608 0.000 1.227 161 I HN -0.158 nan 8.210 nan 0.000 0.505 162 P HA -0.246 nan 4.420 nan 0.000 0.219 162 P C 1.110 178.288 177.300 -0.204 0.000 1.153 162 P CA 1.676 64.668 63.100 -0.181 0.000 0.865 162 P CB 0.387 32.006 31.700 -0.135 0.000 0.788 163 E N -1.164 118.859 120.200 -0.296 0.000 2.072 163 E HA -0.110 4.238 4.350 -0.004 0.000 0.191 163 E C 2.063 178.492 176.600 -0.286 0.000 0.985 163 E CA 0.956 57.192 56.400 -0.274 0.000 0.801 163 E CB -0.738 28.765 29.700 -0.329 0.000 0.750 163 E HN 0.227 nan 8.360 nan 0.000 0.452 164 L N 0.018 120.949 121.223 -0.486 0.000 2.049 164 L HA -0.097 4.241 4.340 -0.004 0.000 0.203 164 L C 2.417 179.169 176.870 -0.197 0.000 1.074 164 L CA 0.868 55.441 54.840 -0.444 0.000 0.749 164 L CB -0.433 41.153 42.059 -0.789 0.000 0.907 164 L HN 0.078 nan 8.230 nan 0.000 0.439 165 S N -0.151 115.430 115.700 -0.198 0.000 2.374 165 S HA -0.252 4.216 4.470 -0.004 0.000 0.227 165 S C 1.982 176.553 174.600 -0.047 0.000 1.037 165 S CA 1.581 59.725 58.200 -0.095 0.000 1.024 165 S CB -0.214 62.923 63.200 -0.104 0.000 0.861 165 S HN 0.296 nan 8.310 nan 0.000 0.456 166 K N 0.932 121.295 120.400 -0.063 0.000 2.057 166 K HA -0.069 4.249 4.320 -0.004 0.000 0.207 166 K C 1.961 178.562 176.600 0.000 0.000 1.049 166 K CA 1.289 57.558 56.287 -0.031 0.000 0.931 166 K CB -0.285 32.191 32.500 -0.040 0.000 0.714 166 K HN 0.345 nan 8.250 nan 0.000 0.440 167 I N 1.677 122.260 120.570 0.021 0.000 2.226 167 I HA -0.253 3.915 4.170 -0.004 0.000 0.245 167 I C 2.061 178.208 176.117 0.050 0.000 1.100 167 I CA 1.203 62.538 61.300 0.058 0.000 1.374 167 I CB -0.230 37.851 38.000 0.135 0.000 1.057 167 I HN 0.287 nan 8.210 nan 0.000 0.413 168 I N -1.697 118.907 120.570 0.055 0.000 3.855 168 I HA 0.431 4.599 4.170 -0.004 0.000 0.327 168 I C 1.131 177.279 176.117 0.051 0.000 1.359 168 I CA 0.272 61.599 61.300 0.045 0.000 1.142 168 I CB -0.203 37.813 38.000 0.028 0.000 1.041 168 I HN 0.241 nan 8.210 nan 0.000 0.403 169 G N 1.747 110.567 108.800 0.034 0.000 2.160 169 G HA2 -0.217 3.740 3.960 -0.004 0.000 0.244 169 G HA3 -0.217 3.740 3.960 -0.004 0.000 0.244 169 G C 0.040 174.952 174.900 0.021 0.000 1.022 169 G CA 0.340 45.456 45.100 0.026 0.000 0.741 169 G HN 0.442 nan 8.290 nan 0.000 0.508 170 L N -0.151 121.080 121.223 0.014 0.000 2.569 170 L HA 0.622 4.960 4.340 -0.004 0.000 0.247 170 L C 1.738 178.602 176.870 -0.010 0.000 1.135 170 L CA -0.085 54.759 54.840 0.005 0.000 0.812 170 L CB 0.661 42.721 42.059 0.003 0.000 1.431 170 L HN 0.334 nan 8.230 nan 0.000 0.499 182 V N 0.603 120.519 119.914 0.005 0.000 3.336 182 V HA 0.389 4.506 4.120 -0.004 0.000 0.304 182 V C 0.567 176.690 176.094 0.050 0.000 1.073 182 V CA 0.437 62.739 62.300 0.004 0.000 1.074 182 V CB 1.461 33.181 31.823 -0.172 0.000 1.161 182 V HN 0.617 nan 8.190 nan 0.000 0.460 183 D N 0.159 120.633 120.400 0.124 0.000 2.525 183 D HA 0.125 4.763 4.640 -0.004 0.000 0.231 183 D C -0.256 176.185 176.300 0.234 0.000 1.216 183 D CA -0.096 54.004 54.000 0.167 0.000 0.813 183 D CB -0.062 40.846 40.800 0.180 0.000 1.108 183 D HN 0.355 nan 8.370 nan 0.000 0.524 184 F N -0.147 119.847 119.950 0.073 0.000 2.598 184 F HA 0.811 5.336 4.527 -0.003 0.000 0.327 184 F C -1.634 174.211 175.800 0.074 0.000 1.057 184 F CA -1.549 56.489 58.000 0.064 0.000 0.957 184 F CB 1.600 40.626 39.000 0.044 0.000 1.278 184 F HN -0.163 nan 8.300 nan 0.000 0.484 185 L N 1.242 122.502 121.223 0.062 0.000 2.505 185 L HA 0.703 5.041 4.340 -0.004 0.000 0.259 185 L C -1.385 175.557 176.870 0.119 0.000 0.952 185 L CA 0.056 54.887 54.840 -0.014 0.000 0.840 185 L CB 2.667 44.776 42.059 0.084 0.000 1.358 185 L HN 0.901 nan 8.230 nan 0.000 0.409 186 T N 2.154 116.773 114.554 0.110 0.000 2.879 186 T HA 0.783 5.131 4.350 -0.004 0.000 0.290 186 T C -0.774 173.993 174.700 0.111 0.000 0.993 186 T CA -0.299 61.876 62.100 0.124 0.000 0.975 186 T CB 1.583 70.546 68.868 0.159 0.000 0.981 186 T HN 0.849 nan 8.240 nan 0.000 0.439 187 T N 0.440 115.063 114.554 0.114 0.000 2.843 187 T HA 0.549 4.896 4.350 -0.004 0.000 0.302 187 T C -2.249 172.504 174.700 0.088 0.000 1.232 187 T CA -1.692 60.473 62.100 0.109 0.000 1.009 187 T CB 1.372 70.328 68.868 0.146 0.000 1.254 187 T HN 0.151 nan 8.240 nan 0.000 0.504 188 P HA 0.015 nan 4.420 nan 0.000 0.216 188 P C 0.873 178.210 177.300 0.063 0.000 1.153 188 P CA 1.352 64.484 63.100 0.055 0.000 0.858 188 P CB 0.118 31.848 31.700 0.049 0.000 0.789 189 K N -3.820 116.641 120.400 0.101 0.000 2.358 189 K HA 0.146 4.464 4.320 -0.004 0.000 0.200 189 K C -0.325 176.411 176.600 0.226 0.000 1.030 189 K CA -0.180 56.188 56.287 0.136 0.000 1.097 189 K CB 0.512 33.100 32.500 0.146 0.000 0.862 189 K HN 0.121 nan 8.250 nan 0.000 0.534 190 Y N 0.792 121.114 120.300 0.036 0.000 2.362 190 Y HA 0.344 4.892 4.550 -0.003 0.000 0.326 190 Y C -1.727 174.188 175.900 0.025 0.000 1.083 190 Y CA -1.063 57.048 58.100 0.018 0.000 1.073 190 Y CB 0.985 39.394 38.460 -0.086 0.000 1.211 190 Y HN -0.254 nan 8.280 nan 0.000 0.433 191 L N 5.183 126.082 121.223 -0.540 0.000 2.319 191 L HA 0.995 5.333 4.340 -0.004 0.000 0.267 191 L C -0.698 175.772 176.870 -0.666 0.000 1.011 191 L CA -1.454 53.135 54.840 -0.417 0.000 0.818 191 L CB 2.048 43.999 42.059 -0.179 0.000 1.316 191 L HN 0.775 nan 8.230 nan 0.000 0.432 192 A N 1.885 124.549 122.820 -0.259 0.000 2.385 192 A HA 0.722 5.039 4.320 -0.004 0.000 0.290 192 A C -1.034 176.581 177.584 0.051 0.000 1.094 192 A CA -0.693 51.279 52.037 -0.107 0.000 0.729 192 A CB 1.084 20.113 19.000 0.048 0.000 1.194 192 A HN 0.580 nan 8.150 nan 0.000 0.442 193 R N 2.697 123.225 120.500 0.047 0.000 2.409 193 R HA 0.442 4.780 4.340 -0.004 0.000 0.313 193 R C -3.144 173.214 176.300 0.096 0.000 0.953 193 R CA -2.156 53.993 56.100 0.082 0.000 0.849 193 R CB 1.604 31.929 30.300 0.043 0.000 1.171 193 R HN 0.408 nan 8.270 nan 0.000 0.458 194 P HA 0.037 nan 4.420 nan 0.000 0.265 194 P C -0.413 176.938 177.300 0.086 0.000 1.193 194 P CA -0.135 63.034 63.100 0.115 0.000 0.765 194 P CB 0.567 32.347 31.700 0.134 0.000 0.823 195 C N 3.477 122.816 119.300 0.064 0.000 3.234 195 C HA 0.198 4.655 4.460 -0.004 0.000 0.439 195 C C -1.535 173.419 174.990 -0.059 0.000 0.946 195 C CA -0.681 58.365 59.018 0.046 0.000 1.193 195 C CB 0.686 28.489 27.740 0.106 0.000 1.579 195 C HN 0.561 nan 8.230 nan 0.000 0.614 196 D N 4.137 124.508 120.400 -0.049 0.000 2.339 196 D HA 0.316 4.953 4.640 -0.004 0.000 0.241 196 D C 1.074 177.309 176.300 -0.109 0.000 1.183 196 D CA -0.148 53.756 54.000 -0.161 0.000 0.859 196 D CB 0.946 41.751 40.800 0.008 0.000 1.067 196 D HN 0.657 nan 8.370 nan 0.000 0.484 197 L N 3.434 124.539 121.223 -0.198 0.000 2.362 197 L HA -0.089 4.248 4.340 -0.004 0.000 0.219 197 L C 1.915 178.705 176.870 -0.132 0.000 1.134 197 L CA 0.294 55.018 54.840 -0.193 0.000 0.807 197 L CB -0.316 41.585 42.059 -0.264 0.000 0.927 197 L HN 0.346 nan 8.230 nan 0.000 0.447 198 N N -0.238 118.417 118.700 -0.076 0.000 2.364 198 N HA -0.144 4.594 4.740 -0.004 0.000 0.183 198 N C 0.653 176.161 175.510 -0.003 0.000 1.022 198 N CA 0.906 53.942 53.050 -0.023 0.000 0.883 198 N CB -0.208 38.294 38.487 0.025 0.000 0.965 198 N HN 0.248 nan 8.380 nan 0.000 0.438 199 D N 0.431 120.837 120.400 0.009 0.000 2.483 199 D HA 0.171 4.809 4.640 -0.004 0.000 0.220 199 D C 0.611 176.951 176.300 0.066 0.000 1.173 199 D CA -0.019 54.005 54.000 0.040 0.000 0.964 199 D CB 0.416 41.248 40.800 0.053 0.000 1.046 199 D HN -0.135 nan 8.370 nan 0.000 0.517 200 S N 2.965 118.698 115.700 0.054 0.000 2.359 200 S HA -0.202 4.266 4.470 -0.004 0.000 0.224 200 S C 1.739 176.425 174.600 0.143 0.000 1.035 200 S CA 1.070 59.326 58.200 0.093 0.000 1.018 200 S CB 0.051 63.283 63.200 0.053 0.000 0.876 200 S HN 0.609 nan 8.310 nan 0.000 0.448 201 K N 0.769 121.223 120.400 0.090 0.000 2.002 201 K HA -0.086 4.232 4.320 -0.004 0.000 0.209 201 K C 2.309 178.956 176.600 0.078 0.000 1.048 201 K CA 1.589 57.919 56.287 0.072 0.000 0.930 201 K CB -0.349 32.178 32.500 0.044 0.000 0.714 201 K HN 0.355 nan 8.250 nan 0.000 0.438 202 M N 0.187 119.839 119.600 0.087 0.000 2.213 202 M HA -0.151 4.327 4.480 -0.004 0.000 0.263 202 M C 1.899 178.264 176.300 0.109 0.000 1.062 202 M CA 1.446 56.793 55.300 0.079 0.000 1.105 202 M CB -0.142 32.504 32.600 0.076 0.000 1.385 202 M HN 0.272 nan 8.290 nan 0.000 0.417 203 F N 0.063 120.017 119.950 0.007 0.000 2.128 203 F HA -0.123 4.401 4.527 -0.005 0.000 0.295 203 F C 2.245 178.057 175.800 0.021 0.000 1.100 203 F CA 1.796 59.803 58.000 0.011 0.000 1.260 203 F CB -0.597 38.404 39.000 0.003 0.000 1.009 203 F HN 0.053 nan 8.300 nan 0.000 0.476 204 S N -0.280 115.421 115.700 0.002 0.000 2.383 204 S HA -0.210 4.258 4.470 -0.004 0.000 0.229 204 S C 1.950 176.486 174.600 -0.107 0.000 1.030 204 S CA 1.846 59.995 58.200 -0.085 0.000 1.002 204 S CB -0.655 62.560 63.200 0.025 0.000 0.829 204 S HN 0.512 nan 8.310 nan 0.000 0.467 205 T N 2.244 116.763 114.554 -0.058 0.000 2.777 205 T HA -0.003 4.345 4.350 -0.004 0.000 0.266 205 T C 1.732 176.388 174.700 -0.073 0.000 1.040 205 T CA 0.902 62.976 62.100 -0.043 0.000 1.141 205 T CB -0.375 68.484 68.868 -0.015 0.000 0.868 205 T HN 0.176 nan 8.240 nan 0.000 0.444 206 L N 1.264 122.417 121.223 -0.116 0.000 2.046 206 L HA 0.039 4.376 4.340 -0.004 0.000 0.208 206 L C 2.145 178.913 176.870 -0.171 0.000 1.077 206 L CA 1.514 56.279 54.840 -0.126 0.000 0.747 206 L CB -0.913 41.081 42.059 -0.107 0.000 0.896 206 L HN 0.260 nan 8.230 nan 0.000 0.432 207 L N -0.439 120.601 121.223 -0.306 0.000 2.043 207 L HA -0.275 4.063 4.340 -0.004 0.000 0.212 207 L C 2.276 179.108 176.870 -0.062 0.000 1.075 207 L CA 1.451 56.157 54.840 -0.223 0.000 0.752 207 L CB -0.770 41.112 42.059 -0.295 0.000 0.891 207 L HN 0.398 nan 8.230 nan 0.000 0.432 208 N N -0.094 118.606 118.700 -0.000 0.000 2.216 208 N HA -0.133 4.605 4.740 -0.004 0.000 0.183 208 N C 1.700 177.294 175.510 0.139 0.000 1.017 208 N CA 1.007 54.154 53.050 0.162 0.000 0.861 208 N CB -0.059 38.491 38.487 0.105 0.000 0.986 208 N HN 0.401 nan 8.380 nan 0.000 0.428 209 E N -0.501 119.716 120.200 0.028 0.000 2.274 209 E HA -0.006 4.342 4.350 -0.004 0.000 0.194 209 E C 0.703 177.286 176.600 -0.027 0.000 0.996 209 E CA 0.490 56.895 56.400 0.009 0.000 0.840 209 E CB 0.068 29.755 29.700 -0.023 0.000 0.772 209 E HN 0.292 nan 8.360 nan 0.000 0.491 210 C N 0.870 120.128 119.300 -0.069 0.000 2.693 210 C HA 0.129 4.586 4.460 -0.004 0.000 0.286 210 C C 0.216 175.074 174.990 -0.220 0.000 1.277 210 C CA -0.354 58.595 59.018 -0.115 0.000 1.705 210 C CB -1.124 26.553 27.740 -0.105 0.000 1.879 210 C HN 0.411 nan 8.230 nan 0.000 0.607 211 Q N -0.234 119.365 119.800 -0.335 0.000 2.453 211 Q HA -0.226 4.112 4.340 -0.004 0.000 0.294 211 Q C 0.492 175.974 176.000 -0.863 0.000 1.295 211 Q CA 0.494 55.758 55.803 -0.898 0.000 0.853 211 Q CB -1.666 26.774 28.738 -0.497 0.000 1.193 211 Q HN 0.706 nan 8.270 nan 0.000 0.461 212 L N -0.834 120.059 121.223 -0.550 0.000 2.592 212 L HA -0.011 4.326 4.340 -0.004 0.000 0.227 212 L C 1.744 178.517 176.870 -0.162 0.000 1.127 212 L CA 0.329 55.012 54.840 -0.262 0.000 0.884 212 L CB -0.326 41.703 42.059 -0.051 0.000 1.065 212 L HN 0.450 nan 8.230 nan 0.000 0.457 213 Y N -2.313 117.990 120.300 0.004 0.000 2.509 213 Y HA 0.062 4.609 4.550 -0.004 0.000 0.293 213 Y C 1.029 176.923 175.900 -0.010 0.000 1.133 213 Y CA -0.613 57.487 58.100 0.000 0.000 1.283 213 Y CB -0.655 37.797 38.460 -0.013 0.000 1.001 213 Y HN 0.013 nan 8.280 nan 0.000 0.555 214 D N 3.067 123.422 120.400 -0.075 0.000 2.412 214 D HA 0.019 4.657 4.640 -0.004 0.000 0.257 214 D C -1.752 174.540 176.300 -0.012 0.000 1.217 214 D CA -1.614 52.389 54.000 0.005 0.000 0.897 214 D CB 1.467 42.194 40.800 -0.122 0.000 1.132 214 D HN 0.118 nan 8.370 nan 0.000 0.493 215 P HA -0.017 nan 4.420 nan 0.000 0.226 215 P C 0.363 177.623 177.300 -0.067 0.000 1.153 215 P CA 0.536 63.616 63.100 -0.032 0.000 0.777 215 P CB 0.327 32.015 31.700 -0.020 0.000 0.794 216 N N -0.812 117.855 118.700 -0.055 0.000 2.314 216 N HA 0.075 4.812 4.740 -0.004 0.000 0.200 216 N C -0.389 175.074 175.510 -0.078 0.000 1.135 216 N CA 0.274 53.286 53.050 -0.063 0.000 0.835 216 N CB 0.648 39.108 38.487 -0.044 0.000 0.989 216 N HN 0.043 nan 8.380 nan 0.000 0.478 217 V N 1.322 121.182 119.914 -0.091 0.000 2.483 217 V HA 0.264 4.382 4.120 -0.004 0.000 0.297 217 V C 0.115 176.147 176.094 -0.104 0.000 1.027 217 V CA -0.890 61.346 62.300 -0.107 0.000 0.855 217 V CB 2.477 34.223 31.823 -0.128 0.000 0.995 217 V HN -0.228 nan 8.190 nan 0.000 0.424 218 V N 5.158 125.012 119.914 -0.100 0.000 2.508 218 V HA 0.252 4.370 4.120 -0.004 0.000 0.281 218 V C 0.297 176.340 176.094 -0.086 0.000 1.041 218 V CA -0.381 61.886 62.300 -0.055 0.000 1.016 218 V CB 1.067 32.879 31.823 -0.018 0.000 0.984 218 V HN 0.761 nan 8.190 nan 0.000 0.478 219 K N 3.746 124.133 120.400 -0.023 0.000 2.172 219 K HA 0.571 4.889 4.320 -0.004 0.000 0.276 219 K C -0.789 175.739 176.600 -0.119 0.000 1.013 219 K CA -0.249 55.937 56.287 -0.168 0.000 0.913 219 K CB 1.642 34.076 32.500 -0.110 0.000 1.055 219 K HN 0.450 nan 8.250 nan 0.000 0.461 220 V N 4.720 124.420 119.914 -0.357 0.000 2.305 220 V HA 0.344 4.461 4.120 -0.004 0.000 0.275 220 V C -0.972 174.883 176.094 -0.399 0.000 1.020 220 V CA -0.795 61.342 62.300 -0.272 0.000 0.811 220 V CB -0.076 31.556 31.823 -0.319 0.000 1.031 220 V HN 0.565 nan 8.190 nan 0.000 0.439 221 F N 3.223 123.050 119.950 -0.205 0.000 2.421 221 F HA 0.443 4.968 4.527 -0.003 0.000 0.358 221 F C 0.389 175.816 175.800 -0.623 0.000 1.115 221 F CA -0.357 57.385 58.000 -0.430 0.000 1.160 221 F CB 1.342 39.987 39.000 -0.592 0.000 1.123 221 F HN 0.200 nan 8.300 nan 0.000 0.508 222 V N 3.750 123.508 119.914 -0.260 0.000 2.370 222 V HA 0.625 4.743 4.120 -0.004 0.000 0.283 222 V C 0.014 176.021 176.094 -0.144 0.000 1.023 222 V CA -0.834 61.340 62.300 -0.210 0.000 0.857 222 V CB 1.323 33.075 31.823 -0.120 0.000 0.985 222 V HN 0.815 nan 8.190 nan 0.000 0.443 223 A N 3.921 126.683 122.820 -0.096 0.000 2.644 223 A HA 0.482 4.800 4.320 -0.004 0.000 0.343 223 A C 0.063 177.683 177.584 0.060 0.000 1.324 223 A CA -0.430 51.627 52.037 0.034 0.000 0.846 223 A CB 0.100 19.203 19.000 0.172 0.000 1.128 223 A HN 0.838 nan 8.150 nan 0.000 0.484 224 E N 2.409 122.642 120.200 0.055 0.000 1.941 224 E HA 0.378 4.726 4.350 -0.004 0.000 0.275 224 E C -0.321 176.345 176.600 0.110 0.000 1.113 224 E CA -0.304 56.143 56.400 0.077 0.000 0.878 224 E CB 0.130 29.875 29.700 0.075 0.000 1.070 224 E HN 0.653 nan 8.360 nan 0.000 0.399 225 V N 3.958 123.927 119.914 0.092 0.000 5.825 225 V HA -0.341 3.776 4.120 -0.004 0.000 0.234 225 V C 0.778 176.910 176.094 0.064 0.000 0.670 225 V CA 1.456 63.789 62.300 0.054 0.000 0.559 225 V CB -2.435 29.489 31.823 0.168 0.000 0.240 225 V HN 0.801 nan 8.190 nan 0.000 0.545 226 S N -1.077 114.649 115.700 0.043 0.000 3.448 226 S HA 0.234 4.702 4.470 -0.004 0.000 0.254 226 S C 0.938 175.589 174.600 0.085 0.000 1.102 226 S CA 0.346 58.640 58.200 0.156 0.000 0.797 226 S CB -0.002 63.285 63.200 0.146 0.000 0.891 226 S HN 0.359 nan 8.310 nan 0.000 0.474 227 L N 2.921 124.157 121.223 0.023 0.000 2.450 227 L HA 0.276 4.614 4.340 -0.004 0.000 0.224 227 L C 2.622 179.446 176.870 -0.076 0.000 1.149 227 L CA 1.140 55.972 54.840 -0.012 0.000 0.816 227 L CB -1.215 40.839 42.059 -0.008 0.000 0.932 227 L HN 0.597 nan 8.230 nan 0.000 0.449 228 A N -1.628 121.078 122.820 -0.189 0.000 2.019 228 A HA -0.199 4.118 4.320 -0.004 0.000 0.219 228 A C 2.047 179.427 177.584 -0.340 0.000 1.164 228 A CA 1.316 53.151 52.037 -0.336 0.000 0.644 228 A CB -0.679 17.998 19.000 -0.539 0.000 0.805 228 A HN 0.475 nan 8.150 nan 0.000 0.449 229 Y N -0.686 119.586 120.300 -0.046 0.000 2.420 229 Y HA 0.170 4.718 4.550 -0.003 0.000 0.292 229 Y C 1.262 177.151 175.900 -0.018 0.000 1.119 229 Y CA -0.058 58.023 58.100 -0.031 0.000 1.229 229 Y CB -0.227 38.244 38.460 0.019 0.000 1.026 229 Y HN 0.189 nan 8.280 nan 0.000 0.554 230 M N 0.720 120.385 119.600 0.108 0.000 2.228 230 M HA 0.142 4.620 4.480 -0.004 0.000 0.326 230 M C 0.087 176.396 176.300 0.016 0.000 1.122 230 M CA -0.060 55.273 55.300 0.056 0.000 1.161 230 M CB 0.600 33.212 32.600 0.020 0.000 1.437 230 M HN -0.064 nan 8.290 nan 0.000 0.465 231 K N 1.589 121.995 120.400 0.010 0.000 2.319 231 K HA 0.059 4.377 4.320 -0.004 0.000 0.265 231 K C -1.785 174.807 176.600 -0.013 0.000 1.000 231 K CA -1.173 55.110 56.287 -0.007 0.000 0.943 231 K CB 0.019 32.516 32.500 -0.007 0.000 0.950 231 K HN 0.290 nan 8.250 nan 0.000 0.485 232 P HA -0.217 nan 4.420 nan 0.000 0.216 232 P C 0.530 177.838 177.300 0.013 0.000 1.153 232 P CA 1.472 64.583 63.100 0.019 0.000 0.858 232 P CB 0.209 31.866 31.700 -0.073 0.000 0.789 233 E N -1.064 119.125 120.200 -0.017 0.000 2.150 233 E HA -0.137 4.211 4.350 -0.004 0.000 0.193 233 E C 2.152 178.733 176.600 -0.032 0.000 0.985 233 E CA 0.703 57.090 56.400 -0.022 0.000 0.814 233 E CB -0.101 29.585 29.700 -0.023 0.000 0.752 233 E HN 0.181 nan 8.360 nan 0.000 0.466 234 R N 0.135 120.616 120.500 -0.032 0.000 2.100 234 R HA -0.014 4.324 4.340 -0.004 0.000 0.220 234 R C 2.605 178.858 176.300 -0.079 0.000 1.091 234 R CA 1.239 57.313 56.100 -0.044 0.000 0.986 234 R CB -0.365 29.919 30.300 -0.027 0.000 0.888 234 R HN 0.158 nan 8.270 nan 0.000 0.444 235 S N 1.144 116.797 115.700 -0.078 0.000 2.371 235 S HA -0.101 4.367 4.470 -0.004 0.000 0.224 235 S C 1.405 175.897 174.600 -0.180 0.000 1.029 235 S CA 1.073 59.201 58.200 -0.120 0.000 0.978 235 S CB -0.109 63.032 63.200 -0.098 0.000 0.833 235 S HN 0.096 nan 8.310 nan 0.000 0.466 236 D N 1.852 122.159 120.400 -0.155 0.000 2.218 236 D HA 0.004 4.642 4.640 -0.004 0.000 0.204 236 D C 2.111 178.310 176.300 -0.168 0.000 0.976 236 D CA 1.188 55.066 54.000 -0.204 0.000 0.853 236 D CB -0.472 40.258 40.800 -0.118 0.000 0.939 236 D HN 0.468 nan 8.370 nan 0.000 0.481 237 S N 0.507 116.139 115.700 -0.115 0.000 2.355 237 S HA -0.099 4.369 4.470 -0.004 0.000 0.222 237 S C 1.996 176.548 174.600 -0.079 0.000 1.031 237 S CA 0.367 58.523 58.200 -0.074 0.000 0.993 237 S CB 0.031 63.203 63.200 -0.047 0.000 0.859 237 S HN 0.182 nan 8.310 nan 0.000 0.453 238 I N 2.035 122.506 120.570 -0.166 0.000 2.163 238 I HA -0.170 3.998 4.170 -0.004 0.000 0.243 238 I C 2.153 178.208 176.117 -0.102 0.000 1.085 238 I CA 1.205 62.344 61.300 -0.267 0.000 1.347 238 I CB -1.413 36.336 38.000 -0.418 0.000 1.044 238 I HN 0.278 nan 8.210 nan 0.000 0.408 239 I N 0.349 120.790 120.570 -0.215 0.000 2.179 239 I HA -0.305 3.862 4.170 -0.004 0.000 0.242 239 I C 2.580 178.693 176.117 -0.007 0.000 1.088 239 I CA 1.515 62.623 61.300 -0.320 0.000 1.357 239 I CB -0.417 37.151 38.000 -0.719 0.000 1.051 239 I HN 0.272 nan 8.210 nan 0.000 0.409 240 E N 1.018 121.190 120.200 -0.046 0.000 2.110 240 E HA -0.234 4.114 4.350 -0.004 0.000 0.193 240 E C 2.260 178.881 176.600 0.034 0.000 0.988 240 E CA 1.231 57.629 56.400 -0.003 0.000 0.804 240 E CB -0.031 29.648 29.700 -0.035 0.000 0.745 240 E HN 0.483 nan 8.360 nan 0.000 0.458 241 A N 0.423 123.289 122.820 0.078 0.000 1.883 241 A HA -0.244 4.074 4.320 -0.004 0.000 0.217 241 A C 2.444 180.088 177.584 0.099 0.000 1.186 241 A CA 2.517 54.631 52.037 0.128 0.000 0.624 241 A CB -1.313 17.870 19.000 0.305 0.000 0.822 241 A HN 0.514 nan 8.150 nan 0.000 0.444 242 T N -1.671 112.953 114.554 0.116 0.000 2.995 242 T HA -0.102 4.245 4.350 -0.004 0.000 0.269 242 T C 1.859 176.636 174.700 0.127 0.000 1.091 242 T CA 1.646 63.752 62.100 0.010 0.000 1.128 242 T CB -0.733 67.970 68.868 -0.276 0.000 0.891 242 T HN 0.711 nan 8.240 nan 0.000 0.492 243 S N 1.592 117.313 115.700 0.034 0.000 2.474 243 S HA 0.014 4.482 4.470 -0.004 0.000 0.235 243 S C 1.782 176.276 174.600 -0.178 0.000 0.997 243 S CA 0.056 58.045 58.200 -0.351 0.000 0.949 243 S CB -0.353 62.522 63.200 -0.541 0.000 0.766 243 S HN 0.418 nan 8.310 nan 0.000 0.517 244 K N 0.654 121.024 120.400 -0.051 0.000 2.418 244 K HA 0.229 4.547 4.320 -0.004 0.000 0.195 244 K C 0.106 176.723 176.600 0.029 0.000 1.035 244 K CA 0.181 56.457 56.287 -0.017 0.000 1.003 244 K CB -0.255 32.245 32.500 0.001 0.000 0.793 244 K HN 0.445 nan 8.250 nan 0.000 0.494 245 M N 1.900 121.544 119.600 0.072 0.000 2.135 245 M HA 0.159 4.637 4.480 -0.004 0.000 0.345 245 M C 0.174 176.539 176.300 0.108 0.000 1.340 245 M CA -0.555 54.821 55.300 0.127 0.000 1.162 245 M CB 0.123 32.862 32.600 0.232 0.000 1.570 245 M HN 0.064 nan 8.290 nan 0.000 0.454 246 E N 4.218 124.457 120.200 0.064 0.000 2.465 246 E HA -0.047 4.301 4.350 -0.004 0.000 0.260 246 E C -0.264 176.331 176.600 -0.008 0.000 0.980 246 E CA 0.266 56.680 56.400 0.024 0.000 0.927 246 E CB 0.320 30.018 29.700 -0.003 0.000 0.934 246 E HN 0.582 nan 8.360 nan 0.000 0.459 247 N N 2.332 121.001 118.700 -0.051 0.000 2.688 247 N HA -0.145 4.593 4.740 -0.004 0.000 0.261 247 N C -1.673 173.930 175.510 0.156 0.000 1.116 247 N CA 0.844 53.746 53.050 -0.246 0.000 0.689 247 N CB -1.293 36.921 38.487 -0.456 0.000 0.882 247 N HN 0.220 nan 8.380 nan 0.000 0.554 248 S N 0.404 116.336 115.700 0.387 0.000 2.521 248 S HA 0.446 4.913 4.470 -0.004 0.000 0.295 248 S C -0.471 174.438 174.600 0.515 0.000 1.098 248 S CA -0.650 57.847 58.200 0.495 0.000 0.999 248 S CB 1.948 65.512 63.200 0.607 0.000 1.034 248 S HN 0.263 nan 8.310 nan 0.000 0.483 249 H N 1.056 120.353 119.070 0.378 0.000 2.499 249 H HA 0.415 4.970 4.556 -0.002 0.000 0.340 249 H C -1.422 174.083 175.328 0.295 0.000 1.148 249 H CA -0.370 55.844 56.048 0.278 0.000 1.215 249 H CB 1.491 31.269 29.762 0.027 0.000 1.529 249 H HN 0.489 nan 8.280 nan 0.000 0.510 250 F N 3.031 123.043 119.950 0.103 0.000 2.445 250 F HA 0.349 4.875 4.527 -0.002 0.000 0.348 250 F C -0.667 175.039 175.800 -0.157 0.000 1.125 250 F CA -0.655 57.312 58.000 -0.055 0.000 0.983 250 F CB 0.565 39.343 39.000 -0.370 0.000 1.198 250 F HN 0.341 nan 8.300 nan 0.000 0.436 251 I N 7.327 127.844 120.570 -0.088 0.000 2.312 251 I HA 0.387 4.554 4.170 -0.004 0.000 0.290 251 I C -0.511 175.622 176.117 0.027 0.000 1.008 251 I CA -0.401 60.836 61.300 -0.105 0.000 1.226 251 I CB 1.351 39.210 38.000 -0.235 0.000 1.371 251 I HN 0.498 nan 8.210 nan 0.000 0.468 252 I N 7.334 127.976 120.570 0.119 0.000 2.509 252 I HA 0.486 4.654 4.170 -0.004 0.000 0.293 252 I C -1.383 174.780 176.117 0.076 0.000 1.020 252 I CA -0.884 60.523 61.300 0.177 0.000 1.088 252 I CB 2.220 40.425 38.000 0.341 0.000 1.267 252 I HN 0.517 nan 8.210 nan 0.000 0.430 253 L N 8.325 129.592 121.223 0.072 0.000 2.377 253 L HA 0.533 4.871 4.340 -0.004 0.000 0.270 253 L C -1.042 175.881 176.870 0.089 0.000 0.991 253 L CA 0.009 54.894 54.840 0.074 0.000 0.851 253 L CB 0.882 42.987 42.059 0.077 0.000 1.218 253 L HN 0.741 nan 8.230 nan 0.000 0.420 254 E N 2.501 122.726 120.200 0.042 0.000 2.449 254 E HA 0.378 4.726 4.350 -0.004 0.000 0.278 254 E C -1.565 174.863 176.600 -0.286 0.000 1.059 254 E CA -1.133 55.227 56.400 -0.068 0.000 0.854 254 E CB 1.105 30.731 29.700 -0.123 0.000 1.465 254 E HN 0.356 nan 8.360 nan 0.000 0.462 255 Q N 0.394 119.890 119.800 -0.507 0.000 2.394 255 Q HA 0.452 4.790 4.340 -0.004 0.000 0.248 255 Q C -0.609 175.191 176.000 -0.334 0.000 0.992 255 Q CA 0.248 55.654 55.803 -0.662 0.000 0.888 255 Q CB 0.780 29.147 28.738 -0.619 0.000 1.257 255 Q HN 0.363 nan 8.270 nan 0.000 0.462 256 L N 1.844 122.916 121.223 -0.251 0.000 2.301 256 L HA 0.605 4.943 4.340 -0.004 0.000 0.264 256 L C -0.192 176.650 176.870 -0.048 0.000 1.016 256 L CA -1.037 53.718 54.840 -0.143 0.000 0.821 256 L CB 1.421 43.384 42.059 -0.161 0.000 1.346 256 L HN 0.675 nan 8.230 nan 0.000 0.429 257 I N -2.351 118.196 120.570 -0.039 0.000 2.926 257 I HA 0.326 4.494 4.170 -0.004 0.000 0.295 257 I C -2.317 173.789 176.117 -0.019 0.000 1.463 257 I CA -1.668 59.648 61.300 0.028 0.000 0.892 257 I CB 0.874 38.896 38.000 0.037 0.000 1.874 257 I HN 0.265 nan 8.210 nan 0.000 0.620 258 P HA -0.084 nan 4.420 nan 0.000 0.229 258 P C 0.532 177.817 177.300 -0.026 0.000 1.150 258 P CA 1.248 64.291 63.100 -0.095 0.000 0.765 258 P CB 0.069 31.657 31.700 -0.186 0.000 0.783 259 K N -0.910 119.521 120.400 0.052 0.000 2.734 259 K HA 0.430 4.748 4.320 -0.004 0.000 0.200 259 K C 0.570 177.311 176.600 0.236 0.000 1.120 259 K CA 0.124 56.496 56.287 0.142 0.000 1.067 259 K CB 0.857 33.485 32.500 0.214 0.000 0.771 259 K HN 0.150 nan 8.250 nan 0.000 0.481 260 G N 2.077 110.968 108.800 0.153 0.000 2.699 260 G HA2 -0.170 3.788 3.960 -0.004 0.000 0.686 260 G HA3 -0.170 3.788 3.960 -0.004 0.000 0.686 260 G C -2.605 172.337 174.900 0.070 0.000 1.301 260 G CA -0.971 44.218 45.100 0.147 0.000 0.816 260 G HN -0.113 nan 8.290 nan 0.000 0.595 261 P HA 0.186 nan 4.420 nan 0.000 0.239 261 P C 0.988 177.998 177.300 -0.483 0.000 1.184 261 P CA 0.923 63.790 63.100 -0.389 0.000 0.760 261 P CB -0.102 31.201 31.700 -0.661 0.000 0.884 262 F N -1.588 118.410 119.950 0.079 0.000 2.724 262 F HA 0.163 4.688 4.527 -0.004 0.000 0.306 262 F C 1.321 176.899 175.800 -0.371 0.000 1.100 262 F CA -0.481 57.478 58.000 -0.068 0.000 1.255 262 F CB 0.234 39.273 39.000 0.066 0.000 1.072 262 F HN -0.208 nan 8.300 nan 0.000 0.589 263 E N 3.021 123.254 120.200 0.055 0.000 2.452 263 E HA -0.040 4.308 4.350 -0.004 0.000 0.261 263 E C -1.787 174.743 176.600 -0.116 0.000 0.987 263 E CA -1.312 55.051 56.400 -0.062 0.000 0.926 263 E CB 1.052 30.959 29.700 0.345 0.000 0.934 263 E HN 0.021 nan 8.360 nan 0.000 0.452 264 P HA -0.205 nan 4.420 nan 0.000 0.219 264 P C 1.131 178.467 177.300 0.060 0.000 1.161 264 P CA 1.520 64.571 63.100 -0.082 0.000 0.909 264 P CB -0.140 31.556 31.700 -0.007 0.000 0.793 265 F N -0.438 119.523 119.950 0.018 0.000 2.234 265 F HA -0.068 4.457 4.527 -0.004 0.000 0.296 265 F C 2.190 177.927 175.800 -0.105 0.000 1.089 265 F CA 1.069 59.052 58.000 -0.029 0.000 1.343 265 F CB -0.384 38.569 39.000 -0.077 0.000 1.040 265 F HN -0.181 nan 8.300 nan 0.000 0.498 266 S N 0.641 116.418 115.700 0.128 0.000 2.351 266 S HA -0.264 4.204 4.470 -0.004 0.000 0.220 266 S C 2.020 176.576 174.600 -0.074 0.000 1.035 266 S CA 1.606 59.847 58.200 0.068 0.000 1.031 266 S CB -0.517 62.801 63.200 0.196 0.000 0.928 266 S HN 0.349 nan 8.310 nan 0.000 0.433 267 K N 0.725 121.084 120.400 -0.068 0.000 2.052 267 K HA -0.300 4.018 4.320 -0.004 0.000 0.215 267 K C 2.413 178.959 176.600 -0.090 0.000 1.053 267 K CA 1.967 58.202 56.287 -0.086 0.000 0.934 267 K CB -0.227 32.239 32.500 -0.057 0.000 0.717 267 K HN 0.159 nan 8.250 nan 0.000 0.450 268 Q N 0.682 120.409 119.800 -0.122 0.000 2.046 268 Q HA -0.144 4.194 4.340 -0.004 0.000 0.200 268 Q C 2.015 177.935 176.000 -0.134 0.000 0.975 268 Q CA 1.999 57.730 55.803 -0.119 0.000 0.836 268 Q CB -0.218 28.428 28.738 -0.154 0.000 0.896 268 Q HN 0.438 nan 8.270 nan 0.000 0.428 269 M N -0.740 118.693 119.600 -0.278 0.000 2.065 269 M HA -0.189 4.289 4.480 -0.004 0.000 0.259 269 M C 1.810 178.075 176.300 -0.058 0.000 1.069 269 M CA 1.599 56.712 55.300 -0.313 0.000 1.110 269 M CB -0.185 32.187 32.600 -0.380 0.000 1.328 269 M HN 0.360 nan 8.290 nan 0.000 0.405 270 L N 0.257 121.447 121.223 -0.056 0.000 2.013 270 L HA -0.225 4.113 4.340 -0.004 0.000 0.212 270 L C 2.793 179.696 176.870 0.055 0.000 1.073 270 L CA 1.538 56.377 54.840 -0.002 0.000 0.753 270 L CB -1.091 40.923 42.059 -0.075 0.000 0.890 270 L HN 0.455 nan 8.230 nan 0.000 0.432 271 A N -0.569 122.259 122.820 0.014 0.000 1.902 271 A HA -0.315 4.003 4.320 -0.004 0.000 0.217 271 A C 2.107 179.708 177.584 0.028 0.000 1.181 271 A CA 2.003 54.051 52.037 0.017 0.000 0.623 271 A CB -0.977 18.026 19.000 0.005 0.000 0.818 271 A HN 0.604 nan 8.150 nan 0.000 0.443 272 H N -1.675 117.353 119.070 -0.071 0.000 2.390 272 H HA -0.177 4.377 4.556 -0.004 0.000 0.298 272 H C 1.537 176.744 175.328 -0.201 0.000 1.106 272 H CA 2.338 58.297 56.048 -0.148 0.000 1.297 272 H CB -0.337 29.288 29.762 -0.229 0.000 1.375 272 H HN 0.481 nan 8.280 nan 0.000 0.509 273 F N 0.510 120.406 119.950 -0.090 0.000 2.293 273 F HA 0.048 4.573 4.527 -0.003 0.000 0.297 273 F C 2.382 178.134 175.800 -0.080 0.000 1.089 273 F CA 0.676 58.623 58.000 -0.087 0.000 1.377 273 F CB 0.039 39.032 39.000 -0.012 0.000 1.051 273 F HN 0.078 nan 8.300 nan 0.000 0.511 274 K N 0.186 120.640 120.400 0.090 0.000 2.097 274 K HA -0.137 4.181 4.320 -0.004 0.000 0.206 274 K C 2.113 178.705 176.600 -0.014 0.000 1.049 274 K CA 1.106 57.417 56.287 0.040 0.000 0.933 274 K CB -0.243 32.272 32.500 0.025 0.000 0.717 274 K HN 0.259 nan 8.250 nan 0.000 0.442 275 R N 0.800 121.255 120.500 -0.074 0.000 2.091 275 R HA -0.099 4.239 4.340 -0.004 0.000 0.238 275 R C 1.829 178.054 176.300 -0.125 0.000 1.136 275 R CA 1.339 57.377 56.100 -0.103 0.000 0.959 275 R CB -0.274 29.940 30.300 -0.143 0.000 0.856 275 R HN 0.126 nan 8.270 nan 0.000 0.437 276 N N 0.460 119.035 118.700 -0.207 0.000 2.550 276 N HA -0.087 4.650 4.740 -0.004 0.000 0.186 276 N C -0.608 174.841 175.510 -0.100 0.000 1.110 276 N CA 0.757 53.700 53.050 -0.178 0.000 0.912 276 N CB 0.095 38.432 38.487 -0.250 0.000 0.968 276 N HN 0.104 nan 8.380 nan 0.000 0.448 277 D N -1.352 119.018 120.400 -0.050 0.000 2.947 277 D HA -0.125 4.513 4.640 -0.004 0.000 0.224 277 D C -0.853 175.416 176.300 -0.051 0.000 1.132 277 D CA 1.016 54.997 54.000 -0.032 0.000 0.801 277 D CB -1.789 38.975 40.800 -0.060 0.000 1.097 277 D HN 0.404 nan 8.370 nan 0.000 0.431 278 S N -1.685 114.030 115.700 0.024 0.000 2.539 278 S HA 0.374 4.842 4.470 -0.004 0.000 0.185 278 S C -2.573 172.202 174.600 0.292 0.000 1.181 278 S CA -0.989 57.250 58.200 0.065 0.000 1.216 278 S CB 2.142 65.293 63.200 -0.081 0.000 1.476 278 S HN -0.076 nan 8.310 nan 0.000 0.395 279 P HA 0.169 nan 4.420 nan 0.000 0.269 279 P C -0.255 177.102 177.300 0.096 0.000 1.209 279 P CA -0.313 62.886 63.100 0.165 0.000 0.776 279 P CB 0.707 32.455 31.700 0.079 0.000 0.876 280 L N 3.028 124.191 121.223 -0.100 0.000 2.369 280 L HA 0.123 4.460 4.340 -0.004 0.000 0.279 280 L C 1.722 178.510 176.870 -0.136 0.000 1.108 280 L CA 0.107 54.798 54.840 -0.249 0.000 0.852 280 L CB -0.072 41.709 42.059 -0.462 0.000 1.169 280 L HN 0.407 nan 8.230 nan 0.000 0.452 281 Q N 1.030 120.772 119.800 -0.095 0.000 2.442 281 Q HA 0.027 4.365 4.340 -0.004 0.000 0.228 281 Q C 1.873 177.827 176.000 -0.076 0.000 0.902 281 Q CA 0.280 56.045 55.803 -0.064 0.000 0.933 281 Q CB 0.433 29.158 28.738 -0.021 0.000 1.071 281 Q HN 0.699 nan 8.270 nan 0.000 0.562 282 S N 1.095 116.755 115.700 -0.067 0.000 2.402 282 S HA -0.093 4.375 4.470 -0.004 0.000 0.229 282 S C 1.951 176.550 174.600 -0.002 0.000 1.021 282 S CA 0.763 58.958 58.200 -0.009 0.000 0.974 282 S CB -0.057 63.155 63.200 0.019 0.000 0.800 282 S HN 0.195 nan 8.310 nan 0.000 0.484 283 V N 2.131 121.999 119.914 -0.076 0.000 2.626 283 V HA -0.034 4.084 4.120 -0.004 0.000 0.252 283 V C 1.706 177.743 176.094 -0.095 0.000 1.067 283 V CA 1.172 63.425 62.300 -0.079 0.000 1.081 283 V CB -0.476 31.256 31.823 -0.152 0.000 0.686 283 V HN 0.470 nan 8.190 nan 0.000 0.468 284 L N -0.068 121.083 121.223 -0.119 0.000 2.083 284 L HA -0.195 4.143 4.340 -0.004 0.000 0.209 284 L C 2.528 179.296 176.870 -0.170 0.000 1.083 284 L CA 2.332 57.094 54.840 -0.130 0.000 0.752 284 L CB -0.623 41.365 42.059 -0.119 0.000 0.899 284 L HN 0.351 nan 8.230 nan 0.000 0.433 285 K N -0.333 119.910 120.400 -0.263 0.000 2.211 285 K HA -0.059 4.259 4.320 -0.004 0.000 0.201 285 K C -0.015 176.234 176.600 -0.584 0.000 1.052 285 K CA 0.397 56.399 56.287 -0.475 0.000 0.973 285 K CB 0.294 32.375 32.500 -0.697 0.000 0.766 285 K HN 0.165 nan 8.250 nan 0.000 0.466 286 Y N 1.368 121.614 120.300 -0.090 0.000 2.944 286 Y HA 0.225 4.772 4.550 -0.005 0.000 0.335 286 Y C 0.235 176.081 175.900 -0.090 0.000 1.075 286 Y CA -1.136 56.911 58.100 -0.089 0.000 1.240 286 Y CB 0.880 39.279 38.460 -0.102 0.000 1.167 286 Y HN 0.044 nan 8.280 nan 0.000 0.555 287 N N 0.347 119.059 118.700 0.020 0.000 2.207 287 N HA -0.062 4.676 4.740 -0.004 0.000 0.182 287 N C 0.837 176.331 175.510 -0.027 0.000 1.020 287 N CA 1.184 54.224 53.050 -0.017 0.000 0.858 287 N CB 0.080 38.552 38.487 -0.025 0.000 0.991 287 N HN 0.538 nan 8.380 nan 0.000 0.427 288 T N -2.578 111.969 114.554 -0.011 0.000 2.938 288 T HA 0.472 4.820 4.350 -0.004 0.000 0.285 288 T C 1.496 176.172 174.700 -0.040 0.000 1.028 288 T CA -0.739 61.337 62.100 -0.040 0.000 1.005 288 T CB 1.098 69.945 68.868 -0.035 0.000 1.157 288 T HN -0.115 nan 8.240 nan 0.000 0.550 289 I N 0.221 120.751 120.570 -0.068 0.000 2.208 289 I HA -0.131 4.037 4.170 -0.004 0.000 0.245 289 I C 2.766 178.855 176.117 -0.047 0.000 1.097 289 I CA 1.570 62.824 61.300 -0.076 0.000 1.363 289 I CB -0.261 37.679 38.000 -0.100 0.000 1.051 289 I HN 0.768 nan 8.210 nan 0.000 0.413 290 E N 0.932 121.112 120.200 -0.033 0.000 2.051 290 E HA -0.212 4.136 4.350 -0.004 0.000 0.192 290 E C 2.292 178.899 176.600 0.012 0.000 0.991 290 E CA 1.856 58.248 56.400 -0.013 0.000 0.799 290 E CB -0.216 29.476 29.700 -0.013 0.000 0.748 290 E HN 0.478 nan 8.360 nan 0.000 0.449 291 S N -0.171 115.549 115.700 0.033 0.000 2.400 291 S HA -0.212 4.256 4.470 -0.004 0.000 0.232 291 S C 1.902 176.548 174.600 0.077 0.000 1.025 291 S CA 1.013 59.270 58.200 0.096 0.000 0.993 291 S CB -0.346 62.948 63.200 0.156 0.000 0.808 291 S HN 0.197 nan 8.310 nan 0.000 0.478 292 Q N 0.814 120.624 119.800 0.018 0.000 2.124 292 Q HA -0.001 4.337 4.340 -0.004 0.000 0.202 292 Q C 2.526 178.559 176.000 0.055 0.000 0.977 292 Q CA 1.399 57.185 55.803 -0.027 0.000 0.850 292 Q CB -0.755 27.976 28.738 -0.013 0.000 0.901 292 Q HN 0.599 nan 8.270 nan 0.000 0.429 293 V N 1.457 121.391 119.914 0.032 0.000 2.307 293 V HA -0.247 3.870 4.120 -0.004 0.000 0.245 293 V C 2.361 178.491 176.094 0.059 0.000 1.045 293 V CA 1.583 63.909 62.300 0.043 0.000 1.024 293 V CB -0.535 31.292 31.823 0.008 0.000 0.651 293 V HN 0.306 nan 8.190 nan 0.000 0.449 294 Q N 0.056 119.878 119.800 0.037 0.000 2.124 294 Q HA -0.202 4.136 4.340 -0.004 0.000 0.202 294 Q C 2.295 178.303 176.000 0.013 0.000 0.977 294 Q CA 1.570 57.393 55.803 0.032 0.000 0.850 294 Q CB -0.635 28.127 28.738 0.040 0.000 0.901 294 Q HN 0.619 nan 8.270 nan 0.000 0.429 295 R N -0.173 120.302 120.500 -0.042 0.000 2.083 295 R HA -0.136 4.202 4.340 -0.004 0.000 0.237 295 R C 2.015 178.166 176.300 -0.250 0.000 1.137 295 R CA 1.318 57.282 56.100 -0.227 0.000 0.951 295 R CB -0.240 29.651 30.300 -0.682 0.000 0.851 295 R HN 0.187 nan 8.270 nan 0.000 0.434 296 F N 0.738 120.589 119.950 -0.165 0.000 2.234 296 F HA -0.001 4.523 4.527 -0.005 0.000 0.296 296 F C 2.028 177.841 175.800 0.022 0.000 1.089 296 F CA 1.494 59.437 58.000 -0.096 0.000 1.343 296 F CB -0.162 38.761 39.000 -0.129 0.000 1.040 296 F HN 0.200 nan 8.300 nan 0.000 0.498 297 N N 0.259 119.050 118.700 0.151 0.000 2.058 297 N HA -0.241 4.497 4.740 -0.004 0.000 0.191 297 N C 1.880 177.405 175.510 0.025 0.000 1.037 297 N CA 1.223 54.314 53.050 0.069 0.000 0.848 297 N CB -0.263 38.240 38.487 0.026 0.000 1.021 297 N HN 0.150 nan 8.380 nan 0.000 0.422 298 K N 1.417 121.819 120.400 0.003 0.000 2.218 298 K HA -0.136 4.182 4.320 -0.004 0.000 0.205 298 K C 1.138 177.719 176.600 -0.032 0.000 1.046 298 K CA 1.161 57.436 56.287 -0.019 0.000 0.933 298 K CB -0.039 32.449 32.500 -0.021 0.000 0.728 298 K HN 0.238 nan 8.250 nan 0.000 0.454 299 L N -0.588 120.617 121.223 -0.030 0.000 2.700 299 L HA 0.269 4.607 4.340 -0.004 0.000 0.234 299 L C 0.831 177.705 176.870 0.007 0.000 1.156 299 L CA 0.235 55.052 54.840 -0.039 0.000 0.946 299 L CB 0.812 42.786 42.059 -0.141 0.000 1.216 299 L HN 0.538 nan 8.230 nan 0.000 0.493 300 G N -0.241 108.548 108.800 -0.019 0.000 2.168 300 G HA2 -0.251 3.707 3.960 -0.004 0.000 0.197 300 G HA3 -0.251 3.707 3.960 -0.004 0.000 0.197 300 G C -0.136 174.569 174.900 -0.325 0.000 0.997 300 G CA -0.652 44.346 45.100 -0.171 0.000 0.658 300 G HN 0.164 nan 8.290 nan 0.000 0.513 301 F N 1.189 121.157 119.950 0.029 0.000 2.311 301 F HA 0.660 5.185 4.527 -0.003 0.000 0.371 301 F C 1.372 177.132 175.800 -0.066 0.000 1.083 301 F CA -0.041 57.992 58.000 0.055 0.000 1.113 301 F CB 1.398 40.533 39.000 0.224 0.000 1.349 301 F HN 0.122 nan 8.300 nan 0.000 0.470 302 A N 2.753 125.456 122.820 -0.195 0.000 2.015 302 A HA -0.059 4.259 4.320 -0.004 0.000 0.219 302 A C 0.093 177.400 177.584 -0.462 0.000 1.163 302 A CA 1.027 52.775 52.037 -0.481 0.000 0.646 302 A CB -0.563 17.890 19.000 -0.911 0.000 0.806 302 A HN 0.604 nan 8.150 nan 0.000 0.448 303 Y N -0.695 119.697 120.300 0.152 0.000 2.334 303 Y HA 0.559 5.108 4.550 -0.001 0.000 0.336 303 Y C -0.524 175.501 175.900 0.210 0.000 0.960 303 Y CA -0.960 57.252 58.100 0.186 0.000 1.164 303 Y CB 1.453 40.011 38.460 0.163 0.000 1.155 303 Y HN -0.137 nan 8.280 nan 0.000 0.478 304 V N 3.202 123.236 119.914 0.201 0.000 2.569 304 V HA 0.333 4.451 4.120 -0.004 0.000 0.301 304 V C -1.042 174.888 176.094 -0.273 0.000 1.044 304 V CA -0.938 61.332 62.300 -0.050 0.000 0.874 304 V CB 1.938 33.722 31.823 -0.065 0.000 1.002 304 V HN 0.742 nan 8.190 nan 0.000 0.424 305 N N 3.276 121.640 118.700 -0.560 0.000 2.407 305 N HA 0.706 5.443 4.740 -0.004 0.000 0.277 305 N C -1.495 173.925 175.510 -0.149 0.000 0.995 305 N CA -0.350 52.384 53.050 -0.528 0.000 0.903 305 N CB 1.951 39.756 38.487 -1.138 0.000 1.218 305 N HN 0.525 nan 8.380 nan 0.000 0.487 306 V N 2.280 122.155 119.914 -0.066 0.000 2.777 306 V HA 0.938 5.055 4.120 -0.004 0.000 0.306 306 V C -0.427 175.369 176.094 -0.496 0.000 1.112 306 V CA -0.129 62.032 62.300 -0.231 0.000 0.917 306 V CB 1.347 33.054 31.823 -0.193 0.000 1.018 306 V HN 0.803 nan 8.190 nan 0.000 0.426 307 G N 3.954 112.099 108.800 -1.093 0.000 2.695 307 G HA2 0.633 4.591 3.960 -0.004 0.000 0.290 307 G HA3 0.633 4.591 3.960 -0.004 0.000 0.290 307 G C -1.579 172.931 174.900 -0.649 0.000 1.410 307 G CA -0.247 44.237 45.100 -1.025 0.000 0.844 307 G HN 0.873 nan 8.290 nan 0.000 0.478 308 D N -0.508 119.706 120.400 -0.310 0.000 2.388 308 D HA 0.229 4.866 4.640 -0.004 0.000 0.254 308 D C 1.628 177.892 176.300 -0.060 0.000 1.111 308 D CA -0.844 53.065 54.000 -0.152 0.000 0.993 308 D CB 0.818 41.587 40.800 -0.051 0.000 1.118 308 D HN 0.139 nan 8.370 nan 0.000 0.502 309 M N 0.262 119.828 119.600 -0.057 0.000 2.260 309 M HA -0.104 4.374 4.480 -0.004 0.000 0.261 309 M C 1.574 177.949 176.300 0.125 0.000 1.066 309 M CA 1.056 56.362 55.300 0.011 0.000 1.082 309 M CB -1.098 31.411 32.600 -0.151 0.000 1.388 309 M HN 0.541 nan 8.290 nan 0.000 0.419 310 F N 1.038 120.955 119.950 -0.054 0.000 2.456 310 F HA -0.115 4.409 4.527 -0.004 0.000 0.298 310 F C 2.186 178.135 175.800 0.248 0.000 1.104 310 F CA 1.082 59.113 58.000 0.051 0.000 1.435 310 F CB -0.015 38.905 39.000 -0.134 0.000 1.078 310 F HN 0.241 nan 8.300 nan 0.000 0.546 311 Q N -0.142 119.828 119.800 0.282 0.000 2.230 311 Q HA -0.118 4.220 4.340 -0.004 0.000 0.202 311 Q C 2.299 178.513 176.000 0.356 0.000 0.963 311 Q CA 0.885 56.874 55.803 0.311 0.000 0.866 311 Q CB -0.081 28.899 28.738 0.404 0.000 0.931 311 Q HN 0.467 nan 8.270 nan 0.000 0.452 312 L N 0.107 121.581 121.223 0.418 0.000 2.044 312 L HA -0.140 4.198 4.340 -0.004 0.000 0.205 312 L C 2.195 179.292 176.870 0.377 0.000 1.075 312 L CA 1.209 56.333 54.840 0.473 0.000 0.747 312 L CB -0.387 41.975 42.059 0.505 0.000 0.903 312 L HN 0.554 nan 8.230 nan 0.000 0.435 313 W N 1.378 122.719 121.300 0.070 0.000 2.311 313 W HA -0.302 4.356 4.660 -0.004 0.000 0.326 313 W C 2.134 178.563 176.519 -0.150 0.000 1.239 313 W CA 1.984 59.297 57.345 -0.053 0.000 1.258 313 W CB -0.276 29.041 29.460 -0.238 0.000 1.165 313 W HN 0.232 nan 8.180 nan 0.000 0.466 314 E N -0.039 120.026 120.200 -0.225 0.000 2.147 314 E HA -0.289 4.059 4.350 -0.004 0.000 0.199 314 E C 2.264 178.779 176.600 -0.142 0.000 1.005 314 E CA 2.256 58.523 56.400 -0.221 0.000 0.810 314 E CB -0.373 29.281 29.700 -0.076 0.000 0.736 314 E HN 0.232 nan 8.360 nan 0.000 0.460 315 S N 0.261 115.940 115.700 -0.036 0.000 2.489 315 S HA 0.115 4.583 4.470 -0.004 0.000 0.228 315 S C 0.932 175.515 174.600 -0.028 0.000 0.995 315 S CA 0.175 58.369 58.200 -0.009 0.000 0.934 315 S CB 0.090 63.317 63.200 0.045 0.000 0.771 315 S HN 0.229 nan 8.310 nan 0.000 0.522 316 A N 3.281 126.043 122.820 -0.096 0.000 2.498 316 A HA 0.329 4.647 4.320 -0.004 0.000 0.239 316 A C 0.445 177.898 177.584 -0.218 0.000 1.068 316 A CA -0.157 51.771 52.037 -0.181 0.000 0.766 316 A CB -0.063 18.707 19.000 -0.383 0.000 1.003 316 A HN 0.722 nan 8.150 nan 0.000 0.497 317 D N 1.926 122.235 120.400 -0.152 0.000 2.357 317 D HA 0.008 4.646 4.640 -0.004 0.000 0.242 317 D C 0.434 176.623 176.300 -0.184 0.000 1.153 317 D CA -0.208 53.709 54.000 -0.138 0.000 0.918 317 D CB 0.777 41.528 40.800 -0.082 0.000 1.181 317 D HN 0.678 nan 8.370 nan 0.000 0.435 318 E N 0.509 120.617 120.200 -0.154 0.000 2.130 318 E HA -0.215 4.133 4.350 -0.004 0.000 0.196 318 E C 1.949 178.455 176.600 -0.157 0.000 0.998 318 E CA 1.524 57.829 56.400 -0.158 0.000 0.806 318 E CB -0.094 29.537 29.700 -0.116 0.000 0.738 318 E HN 0.657 nan 8.360 nan 0.000 0.459 319 A N 0.450 123.192 122.820 -0.131 0.000 1.968 319 A HA -0.103 4.215 4.320 -0.004 0.000 0.217 319 A C 2.291 179.781 177.584 -0.155 0.000 1.169 319 A CA 1.408 53.372 52.037 -0.120 0.000 0.638 319 A CB -0.406 18.543 19.000 -0.085 0.000 0.812 319 A HN 0.140 nan 8.150 nan 0.000 0.446 320 T N -0.330 114.116 114.554 -0.181 0.000 2.770 320 T HA -0.087 4.261 4.350 -0.004 0.000 0.263 320 T C 2.057 176.543 174.700 -0.357 0.000 1.039 320 T CA 1.705 63.661 62.100 -0.240 0.000 1.142 320 T CB -0.138 68.600 68.868 -0.216 0.000 0.868 320 T HN 0.452 nan 8.240 nan 0.000 0.435 321 K N 1.541 121.706 120.400 -0.392 0.000 2.009 321 K HA -0.038 4.280 4.320 -0.004 0.000 0.210 321 K C 2.231 178.646 176.600 -0.308 0.000 1.049 321 K CA 1.483 57.488 56.287 -0.470 0.000 0.929 321 K CB -0.167 32.057 32.500 -0.460 0.000 0.714 321 K HN 0.146 nan 8.250 nan 0.000 0.440 322 K N 0.341 120.604 120.400 -0.228 0.000 2.059 322 K HA -0.219 4.099 4.320 -0.004 0.000 0.212 322 K C 2.106 178.594 176.600 -0.185 0.000 1.050 322 K CA 2.089 58.274 56.287 -0.170 0.000 0.927 322 K CB -0.147 32.273 32.500 -0.134 0.000 0.714 322 K HN 0.305 nan 8.250 nan 0.000 0.447 323 E N 0.543 120.614 120.200 -0.215 0.000 2.038 323 E HA -0.201 4.147 4.350 -0.004 0.000 0.195 323 E C 2.137 178.556 176.600 -0.302 0.000 1.000 323 E CA 1.172 57.431 56.400 -0.234 0.000 0.803 323 E CB -0.133 29.426 29.700 -0.236 0.000 0.750 323 E HN 0.248 nan 8.360 nan 0.000 0.448 324 L N 0.851 121.852 121.223 -0.370 0.000 2.127 324 L HA -0.211 4.126 4.340 -0.004 0.000 0.211 324 L C 2.476 179.168 176.870 -0.297 0.000 1.089 324 L CA 0.761 55.352 54.840 -0.414 0.000 0.757 324 L CB -0.359 41.442 42.059 -0.431 0.000 0.899 324 L HN 0.197 nan 8.230 nan 0.000 0.434 325 L N -0.443 120.654 121.223 -0.210 0.000 2.083 325 L HA -0.210 4.128 4.340 -0.004 0.000 0.209 325 L C 2.327 179.101 176.870 -0.159 0.000 1.083 325 L CA 1.399 56.146 54.840 -0.155 0.000 0.752 325 L CB -0.433 41.569 42.059 -0.096 0.000 0.899 325 L HN 0.238 nan 8.230 nan 0.000 0.433 326 K N -0.603 119.689 120.400 -0.180 0.000 2.459 326 K HA 0.005 4.323 4.320 -0.004 0.000 0.193 326 K C 1.944 178.416 176.600 -0.213 0.000 1.030 326 K CA 0.136 56.328 56.287 -0.158 0.000 1.026 326 K CB 0.320 32.740 32.500 -0.134 0.000 0.809 326 K HN 0.093 nan 8.250 nan 0.000 0.504 327 V N 1.889 121.605 119.914 -0.330 0.000 2.261 327 V HA -0.217 3.901 4.120 -0.004 0.000 0.246 327 V C 0.985 176.868 176.094 -0.351 0.000 1.047 327 V CA 1.618 63.648 62.300 -0.451 0.000 1.015 327 V CB -0.341 30.938 31.823 -0.907 0.000 0.642 327 V HN 0.494 nan 8.190 nan 0.000 0.446 328 E N -0.728 119.295 120.200 -0.296 0.000 2.392 328 E HA 0.370 4.718 4.350 -0.004 0.000 0.279 328 E C -3.138 173.407 176.600 -0.091 0.000 0.964 328 E CA -2.261 54.032 56.400 -0.178 0.000 0.777 328 E CB 1.754 31.375 29.700 -0.131 0.000 1.249 328 E HN 0.011 nan 8.360 nan 0.000 0.449 329 P HA 0.022 nan 4.420 nan 0.000 0.258 329 P C -1.520 175.804 177.300 0.040 0.000 1.172 329 P CA 0.629 63.699 63.100 -0.051 0.000 0.762 329 P CB -0.160 31.412 31.700 -0.213 0.000 0.764 330 F N 3.061 122.966 119.950 -0.074 0.000 2.574 330 F HA 0.365 4.890 4.527 -0.004 0.000 0.313 330 F C -0.380 175.396 175.800 -0.040 0.000 1.130 330 F CA -0.542 57.405 58.000 -0.089 0.000 0.936 330 F CB 2.155 41.073 39.000 -0.136 0.000 1.219 330 F HN 0.157 nan 8.300 nan 0.000 0.445 331 D N 3.339 123.476 120.400 -0.439 0.000 2.822 331 D HA 0.165 4.803 4.640 -0.004 0.000 0.327 331 D C -0.838 175.204 176.300 -0.430 0.000 1.577 331 D CA 0.094 53.979 54.000 -0.192 0.000 0.785 331 D CB 0.383 41.169 40.800 -0.023 0.000 1.199 331 D HN 0.456 nan 8.370 nan 0.000 0.443 332 E N 0.412 119.999 120.200 -1.022 0.000 2.830 332 E HA 0.191 4.539 4.350 -0.004 0.000 0.225 332 E C 1.087 177.576 176.600 -0.184 0.000 1.109 332 E CA -0.213 55.839 56.400 -0.581 0.000 1.392 332 E CB 0.694 30.034 29.700 -0.600 0.000 1.349 332 E HN 0.216 nan 8.360 nan 0.000 0.433 333 L N 0.411 121.663 121.223 0.049 0.000 2.093 333 L HA -0.097 4.241 4.340 -0.004 0.000 0.208 333 L C 1.446 178.277 176.870 -0.066 0.000 1.085 333 L CA 1.907 56.776 54.840 0.048 0.000 0.755 333 L CB 0.052 41.912 42.059 -0.331 0.000 0.904 333 L HN 0.156 nan 8.230 nan 0.000 0.435 334 E N -0.100 120.205 120.200 0.175 0.000 2.058 334 E HA -0.242 4.106 4.350 -0.004 0.000 0.194 334 E C 2.084 178.815 176.600 0.217 0.000 0.997 334 E CA 1.755 58.328 56.400 0.288 0.000 0.801 334 E CB -0.195 29.761 29.700 0.426 0.000 0.746 334 E HN 0.555 nan 8.360 nan 0.000 0.450 335 E N -0.385 119.942 120.200 0.211 0.000 2.070 335 E HA -0.229 4.119 4.350 -0.004 0.000 0.197 335 E C 1.869 178.597 176.600 0.213 0.000 1.004 335 E CA 1.134 57.662 56.400 0.213 0.000 0.805 335 E CB -0.243 29.576 29.700 0.199 0.000 0.744 335 E HN 0.211 nan 8.360 nan 0.000 0.451 336 F N 0.915 120.906 119.950 0.068 0.000 2.186 336 F HA -0.136 4.389 4.527 -0.003 0.000 0.299 336 F C 1.965 177.783 175.800 0.029 0.000 1.090 336 F CA 1.690 59.739 58.000 0.082 0.000 1.307 336 F CB -0.260 38.770 39.000 0.051 0.000 1.019 336 F HN 0.075 nan 8.300 nan 0.000 0.489 337 H N -0.502 118.525 119.070 -0.073 0.000 2.321 337 H HA -0.162 4.392 4.556 -0.003 0.000 0.300 337 H C 2.364 177.469 175.328 -0.373 0.000 1.087 337 H CA 1.629 57.458 56.048 -0.367 0.000 1.319 337 H CB -0.258 29.384 29.762 -0.200 0.000 1.379 337 H HN 0.233 nan 8.280 nan 0.000 0.501 338 L N -0.111 121.084 121.223 -0.047 0.000 1.989 338 L HA -0.222 4.116 4.340 -0.004 0.000 0.211 338 L C 2.472 179.051 176.870 -0.485 0.000 1.071 338 L CA 1.414 56.130 54.840 -0.208 0.000 0.749 338 L CB -0.563 41.326 42.059 -0.283 0.000 0.890 338 L HN 0.282 nan 8.230 nan 0.000 0.431 339 F N 0.444 119.983 119.950 -0.685 0.000 2.065 339 F HA -0.310 4.215 4.527 -0.003 0.000 0.298 339 F C 2.590 178.210 175.800 -0.299 0.000 1.112 339 F CA 1.711 59.372 58.000 -0.564 0.000 1.212 339 F CB -0.818 37.885 39.000 -0.496 0.000 0.975 339 F HN 0.059 nan 8.300 nan 0.000 0.476 340 C N 0.631 119.486 119.300 -0.741 0.000 2.413 340 C HA -0.222 4.236 4.460 -0.004 0.000 0.276 340 C C 2.649 177.336 174.990 -0.506 0.000 1.248 340 C CA 1.334 59.878 59.018 -0.790 0.000 1.742 340 C CB -1.666 25.711 27.740 -0.605 0.000 2.017 340 C HN 0.548 nan 8.230 nan 0.000 0.481 341 H N -1.125 117.771 119.070 -0.290 0.000 2.559 341 H HA -0.022 4.532 4.556 -0.003 0.000 0.273 341 H C 1.082 176.181 175.328 -0.381 0.000 1.000 341 H CA 1.053 56.926 56.048 -0.293 0.000 1.195 341 H CB -0.367 29.209 29.762 -0.310 0.000 1.368 341 H HN 0.684 nan 8.280 nan 0.000 0.592 342 H N -1.463 117.499 119.070 -0.180 0.000 2.542 342 H HA 0.169 4.723 4.556 -0.003 0.000 0.283 342 H C -0.643 174.479 175.328 -0.344 0.000 1.059 342 H CA 0.052 56.006 56.048 -0.156 0.000 1.162 342 H CB 0.199 29.974 29.762 0.022 0.000 1.539 342 H HN 0.113 nan 8.280 nan 0.000 0.543 343 Y N -0.109 120.031 120.300 -0.267 0.000 2.346 343 Y HA 0.355 4.903 4.550 -0.003 0.000 0.332 343 Y C -0.673 175.100 175.900 -0.210 0.000 0.985 343 Y CA -1.027 56.924 58.100 -0.248 0.000 1.112 343 Y CB 1.717 39.952 38.460 -0.377 0.000 1.170 343 Y HN -0.123 nan 8.280 nan 0.000 0.447 344 V N 5.821 125.697 119.914 -0.063 0.000 2.532 344 V HA 0.536 4.654 4.120 -0.004 0.000 0.295 344 V C -1.204 174.848 176.094 -0.070 0.000 1.041 344 V CA -0.796 61.441 62.300 -0.105 0.000 0.926 344 V CB 1.598 33.347 31.823 -0.124 0.000 0.992 344 V HN 0.619 nan 8.190 nan 0.000 0.457 345 L N 7.725 128.867 121.223 -0.135 0.000 2.277 345 L HA 0.557 4.895 4.340 -0.004 0.000 0.284 345 L C -0.526 176.279 176.870 -0.109 0.000 1.028 345 L CA 0.214 55.011 54.840 -0.073 0.000 0.835 345 L CB 0.742 42.805 42.059 0.006 0.000 1.215 345 L HN 0.794 nan 8.230 nan 0.000 0.425 346 C N 5.215 124.471 119.300 -0.073 0.000 2.264 346 C HA 0.434 4.892 4.460 -0.004 0.000 0.324 346 C C -0.318 174.605 174.990 -0.112 0.000 1.267 346 C CA -0.494 58.443 59.018 -0.135 0.000 1.618 346 C CB -0.405 27.228 27.740 -0.178 0.000 2.278 346 C HN 0.918 nan 8.230 nan 0.000 0.499 347 H N 4.173 123.132 119.070 -0.186 0.000 2.595 347 H HA 0.637 5.191 4.556 -0.004 0.000 0.313 347 H C -0.195 175.039 175.328 -0.155 0.000 1.023 347 H CA -0.237 55.748 56.048 -0.104 0.000 1.218 347 H CB 0.950 30.753 29.762 0.069 0.000 1.403 347 H HN 0.865 nan 8.280 nan 0.000 0.477 348 A N 4.075 126.921 122.820 0.044 0.000 2.354 348 A HA 0.643 4.961 4.320 -0.004 0.000 0.321 348 A C -0.642 177.089 177.584 0.244 0.000 1.125 348 A CA -0.601 51.406 52.037 -0.051 0.000 0.799 348 A CB 1.935 20.538 19.000 -0.661 0.000 1.293 348 A HN 0.657 nan 8.150 nan 0.000 0.452 349 T N 1.094 115.856 114.554 0.347 0.000 2.916 349 T HA 0.397 4.745 4.350 -0.004 0.000 0.305 349 T C -0.187 174.768 174.700 0.425 0.000 1.119 349 T CA -0.491 61.719 62.100 0.184 0.000 1.008 349 T CB 1.141 69.797 68.868 -0.352 0.000 1.129 349 T HN 0.780 nan 8.240 nan 0.000 0.480 350 N N 1.422 120.316 118.700 0.324 0.000 2.380 350 N HA 0.171 4.909 4.740 -0.004 0.000 0.255 350 N C -0.664 175.098 175.510 0.420 0.000 1.158 350 N CA -0.525 52.653 53.050 0.212 0.000 0.878 350 N CB -0.410 37.993 38.487 -0.140 0.000 1.138 350 N HN 0.743 nan 8.380 nan 0.000 0.509 351 Y N -2.894 117.607 120.300 0.336 0.000 2.521 351 Y HA 0.419 4.966 4.550 -0.005 0.000 0.332 351 Y C 0.612 176.330 175.900 -0.304 0.000 1.121 351 Y CA -1.284 56.913 58.100 0.161 0.000 1.037 351 Y CB 0.815 39.295 38.460 0.033 0.000 1.330 351 Y HN -0.157 nan 8.280 nan 0.000 0.452 352 K N 0.620 120.863 120.400 -0.261 0.000 2.097 352 K HA -0.116 4.202 4.320 -0.004 0.000 0.205 352 K C 0.770 177.172 176.600 -0.330 0.000 1.050 352 K CA 1.859 57.797 56.287 -0.582 0.000 0.938 352 K CB -0.039 32.358 32.500 -0.171 0.000 0.718 352 K HN 0.697 nan 8.250 nan 0.000 0.442 353 E N 1.202 121.402 120.200 -0.001 0.000 2.086 353 E HA -0.164 4.184 4.350 -0.004 0.000 0.205 353 E C 0.315 176.888 176.600 -0.046 0.000 1.027 353 E CA 1.079 57.523 56.400 0.073 0.000 0.830 353 E CB -0.409 29.458 29.700 0.277 0.000 0.751 353 E HN 0.302 nan 8.360 nan 0.000 0.456 354 F N 0.432 120.200 119.950 -0.304 0.000 2.578 354 F HA 0.238 4.762 4.527 -0.004 0.000 0.381 354 F C 0.060 175.509 175.800 -0.584 0.000 1.069 354 F CA -0.473 57.264 58.000 -0.438 0.000 1.231 354 F CB 0.324 38.911 39.000 -0.689 0.000 1.086 354 F HN -0.080 nan 8.300 nan 0.000 0.564 355 A N 6.647 128.805 122.820 -1.104 0.000 2.312 355 A HA 0.529 4.847 4.320 -0.004 0.000 0.326 355 A C -1.115 175.862 177.584 -1.012 0.000 1.172 355 A CA -0.617 50.929 52.037 -0.819 0.000 0.821 355 A CB 0.173 18.896 19.000 -0.461 0.000 1.166 355 A HN 0.729 nan 8.150 nan 0.000 0.493 356 F N 2.710 122.473 119.950 -0.312 0.000 2.499 356 F HA 0.194 4.718 4.527 -0.005 0.000 0.353 356 F C 1.679 177.439 175.800 -0.066 0.000 1.196 356 F CA 0.025 57.939 58.000 -0.143 0.000 1.244 356 F CB 0.312 39.292 39.000 -0.033 0.000 1.577 356 F HN 0.697 nan 8.300 nan 0.000 0.614 357 T N -1.626 112.974 114.554 0.077 0.000 2.788 357 T HA -0.129 4.219 4.350 -0.004 0.000 0.333 357 T C 1.334 176.091 174.700 0.096 0.000 1.090 357 T CA -0.271 61.876 62.100 0.079 0.000 1.094 357 T CB 0.820 69.751 68.868 0.104 0.000 0.999 357 T HN 0.761 nan 8.240 nan 0.000 0.549 358 Q N 1.084 120.892 119.800 0.013 0.000 2.364 358 Q HA 0.001 4.339 4.340 -0.004 0.000 0.207 358 Q C 2.062 178.004 176.000 -0.098 0.000 0.970 358 Q CA 1.391 57.179 55.803 -0.025 0.000 0.888 358 Q CB -0.800 27.918 28.738 -0.034 0.000 0.951 358 Q HN 0.919 nan 8.270 nan 0.000 0.469 359 G N -0.294 108.399 108.800 -0.178 0.000 2.484 359 G HA2 -0.100 3.858 3.960 -0.004 0.000 0.218 359 G HA3 -0.100 3.858 3.960 -0.004 0.000 0.218 359 G C 0.617 175.145 174.900 -0.619 0.000 1.130 359 G CA 0.202 45.041 45.100 -0.435 0.000 0.784 359 G HN 0.427 nan 8.290 nan 0.000 0.543 360 F N -0.990 118.914 119.950 -0.076 0.000 2.706 360 F HA 0.455 4.979 4.527 -0.004 0.000 0.313 360 F C 0.490 176.129 175.800 -0.269 0.000 1.096 360 F CA -0.839 57.082 58.000 -0.131 0.000 1.219 360 F CB 0.563 39.581 39.000 0.030 0.000 1.051 360 F HN -0.106 nan 8.300 nan 0.000 0.568 361 L N 1.217 122.404 121.223 -0.060 0.000 2.367 361 L HA 0.281 4.619 4.340 -0.004 0.000 0.275 361 L C -0.498 176.249 176.870 -0.206 0.000 1.129 361 L CA -0.111 54.675 54.840 -0.090 0.000 0.839 361 L CB -0.044 42.019 42.059 0.007 0.000 1.133 361 L HN -0.109 nan 8.230 nan 0.000 0.453 362 F N 2.592 122.541 119.950 -0.002 0.000 2.371 362 F HA 0.271 4.796 4.527 -0.004 0.000 0.329 362 F C 0.516 176.313 175.800 -0.004 0.000 1.107 362 F CA -0.421 57.581 58.000 0.004 0.000 1.137 362 F CB 0.939 39.934 39.000 -0.008 0.000 1.214 362 F HN 0.492 nan 8.300 nan 0.000 0.536 363 D N 1.290 121.819 120.400 0.216 0.000 2.193 363 D HA 0.356 4.994 4.640 -0.004 0.000 0.249 363 D C -1.022 175.340 176.300 0.104 0.000 1.034 363 D CA -0.541 53.532 54.000 0.122 0.000 0.902 363 D CB 1.008 41.862 40.800 0.090 0.000 1.182 363 D HN 0.481 nan 8.370 nan 0.000 0.436 364 R N 1.881 122.415 120.500 0.057 0.000 2.483 364 R HA 0.530 4.868 4.340 -0.004 0.000 0.303 364 R C -1.612 174.695 176.300 0.012 0.000 0.987 364 R CA -0.544 55.571 56.100 0.025 0.000 0.881 364 R CB 1.120 31.427 30.300 0.012 0.000 1.177 364 R HN 0.287 nan 8.270 nan 0.000 0.451 365 S N 5.497 121.197 115.700 -0.001 0.000 2.413 365 S HA 0.223 4.691 4.470 -0.004 0.000 0.170 365 S C -0.798 173.785 174.600 -0.029 0.000 1.294 365 S CA -0.667 57.528 58.200 -0.010 0.000 1.201 365 S CB 0.044 63.243 63.200 -0.002 0.000 1.328 365 S HN 0.579 nan 8.310 nan 0.000 0.418 366 I N 1.397 121.947 120.570 -0.034 0.000 2.311 366 I HA 0.464 4.632 4.170 -0.004 0.000 0.297 366 I C 0.314 176.407 176.117 -0.039 0.000 1.131 366 I CA 0.213 61.485 61.300 -0.046 0.000 1.289 366 I CB 0.790 38.761 38.000 -0.047 0.000 1.446 366 I HN 0.183 nan 8.210 nan 0.000 0.524 367 S N 5.624 121.298 115.700 -0.044 0.000 2.835 367 S HA 0.177 4.644 4.470 -0.004 0.000 0.286 367 S C 0.168 174.745 174.600 -0.037 0.000 1.194 367 S CA -0.726 57.450 58.200 -0.039 0.000 1.031 367 S CB -0.418 62.756 63.200 -0.045 0.000 1.216 367 S HN 0.818 nan 8.310 nan 0.000 0.502 368 E N 2.442 122.624 120.200 -0.030 0.000 2.558 368 E HA 0.108 4.456 4.350 -0.004 0.000 0.255 368 E C -0.559 176.031 176.600 -0.016 0.000 0.968 368 E CA 0.270 56.655 56.400 -0.025 0.000 0.939 368 E CB 0.331 30.018 29.700 -0.022 0.000 0.921 368 E HN 0.457 nan 8.360 nan 0.000 0.477 369 I N 3.658 124.223 120.570 -0.007 0.000 2.389 369 I HA 0.197 4.365 4.170 -0.004 0.000 0.288 369 I C -0.831 175.293 176.117 0.013 0.000 0.999 369 I CA -0.963 60.343 61.300 0.010 0.000 1.129 369 I CB 1.247 39.266 38.000 0.031 0.000 1.288 369 I HN 0.562 nan 8.210 nan 0.000 0.444 370 N N 7.853 126.558 118.700 0.008 0.000 2.434 370 N HA 0.516 5.254 4.740 -0.004 0.000 0.272 370 N C -1.077 174.434 175.510 0.002 0.000 1.040 370 N CA -0.168 52.882 53.050 -0.001 0.000 0.956 370 N CB 1.573 40.056 38.487 -0.007 0.000 1.108 370 N HN 0.430 nan 8.380 nan 0.000 0.481 371 L N 1.288 122.508 121.223 -0.005 0.000 2.334 371 L HA 0.445 4.783 4.340 -0.004 0.000 0.276 371 L C 0.357 177.217 176.870 -0.017 0.000 1.014 371 L CA -0.900 53.933 54.840 -0.012 0.000 0.815 371 L CB 1.647 43.697 42.059 -0.015 0.000 1.268 371 L HN 0.380 nan 8.230 nan 0.000 0.428 372 T N 1.303 115.846 114.554 -0.017 0.000 2.928 372 T HA 0.131 4.479 4.350 -0.004 0.000 0.305 372 T C 0.152 174.843 174.700 -0.016 0.000 1.035 372 T CA -0.489 61.602 62.100 -0.016 0.000 1.145 372 T CB 0.879 69.739 68.868 -0.013 0.000 0.963 372 T HN 0.206 nan 8.240 nan 0.000 0.545 373 V N 3.604 123.508 119.914 -0.016 0.000 2.389 373 V HA 0.086 4.204 4.120 -0.004 0.000 0.264 373 V C 0.732 176.821 176.094 -0.008 0.000 1.049 373 V CA -0.630 61.661 62.300 -0.015 0.000 0.932 373 V CB 0.554 32.364 31.823 -0.020 0.000 1.011 373 V HN 0.891 nan 8.190 nan 0.000 0.475 374 D N 4.017 124.418 120.400 0.002 0.000 2.583 374 D HA -0.054 4.584 4.640 -0.004 0.000 0.232 374 D C 1.336 177.638 176.300 0.004 0.000 1.128 374 D CA 0.538 54.548 54.000 0.017 0.000 0.859 374 D CB 0.773 41.605 40.800 0.052 0.000 1.169 374 D HN 0.783 nan 8.370 nan 0.000 0.481 375 E N 1.810 122.003 120.200 -0.013 0.000 2.476 375 E HA -0.002 4.346 4.350 -0.004 0.000 0.199 375 E C 0.151 176.703 176.600 -0.081 0.000 1.021 375 E CA -0.078 56.299 56.400 -0.037 0.000 0.907 375 E CB 0.441 30.120 29.700 -0.035 0.000 0.974 375 E HN 0.396 nan 8.360 nan 0.000 0.489 376 D N 0.014 120.348 120.400 -0.110 0.000 2.323 376 D HA 0.071 4.709 4.640 -0.004 0.000 0.218 376 D C -0.338 175.648 176.300 -0.523 0.000 0.973 376 D CA 0.764 54.575 54.000 -0.316 0.000 0.890 376 D CB 0.346 40.938 40.800 -0.347 0.000 1.011 376 D HN 0.111 nan 8.370 nan 0.000 0.499 377 Y N 0.498 120.786 120.300 -0.020 0.000 2.462 377 Y HA 0.352 4.900 4.550 -0.004 0.000 0.346 377 Y C 0.316 176.198 175.900 -0.031 0.000 0.976 377 Y CA -1.016 57.068 58.100 -0.027 0.000 1.044 377 Y CB 1.758 40.200 38.460 -0.030 0.000 1.230 377 Y HN -0.234 nan 8.280 nan 0.000 0.455 378 Q N 0.998 120.873 119.800 0.126 0.000 2.633 378 Q HA 0.797 5.135 4.340 -0.004 0.000 0.292 378 Q C -2.130 173.887 176.000 0.030 0.000 1.089 378 Q CA -1.346 54.488 55.803 0.052 0.000 0.811 378 Q CB 2.367 31.117 28.738 0.019 0.000 1.472 378 Q HN 0.522 nan 8.270 nan 0.000 0.464 379 L N 1.417 122.640 121.223 -0.000 0.000 2.325 379 L HA 0.527 4.865 4.340 -0.004 0.000 0.281 379 L C -1.412 175.438 176.870 -0.034 0.000 1.004 379 L CA -0.553 54.273 54.840 -0.024 0.000 0.823 379 L CB 1.523 43.568 42.059 -0.024 0.000 1.236 379 L HN 0.653 nan 8.230 nan 0.000 0.415 380 L N 2.887 124.077 121.223 -0.056 0.000 2.330 380 L HA 0.514 4.852 4.340 -0.004 0.000 0.271 380 L C 0.122 176.946 176.870 -0.077 0.000 1.013 380 L CA -0.822 53.983 54.840 -0.059 0.000 0.816 380 L CB 2.002 44.029 42.059 -0.053 0.000 1.287 380 L HN 0.564 nan 8.230 nan 0.000 0.435 381 E N 0.462 120.609 120.200 -0.088 0.000 2.259 381 E HA 0.048 4.395 4.350 -0.004 0.000 0.281 381 E C -0.179 176.378 176.600 -0.070 0.000 1.037 381 E CA -0.260 56.063 56.400 -0.128 0.000 0.854 381 E CB 1.216 30.774 29.700 -0.237 0.000 1.051 381 E HN 0.687 nan 8.360 nan 0.000 0.409 382 C N 4.402 123.681 119.300 -0.036 0.000 3.336 382 C HA 0.197 4.655 4.460 -0.004 0.000 0.291 382 C C 0.265 175.284 174.990 0.048 0.000 1.363 382 C CA -0.155 58.877 59.018 0.024 0.000 1.737 382 C CB -1.278 26.501 27.740 0.065 0.000 2.274 382 C HN 1.035 nan 8.230 nan 0.000 0.663 383 E N 0.624 120.848 120.200 0.040 0.000 2.023 383 E HA -0.247 4.101 4.350 -0.004 0.000 0.164 383 E C -0.623 176.011 176.600 0.056 0.000 1.456 383 E CA 0.431 56.874 56.400 0.071 0.000 0.617 383 E CB -1.593 28.159 29.700 0.087 0.000 1.042 383 E HN 0.633 nan 8.360 nan 0.000 0.301 384 C N 3.583 122.909 119.300 0.044 0.000 2.397 384 C HA 0.591 5.049 4.460 -0.004 0.000 0.325 384 C C -2.548 172.442 174.990 -0.000 0.000 1.201 384 C CA -1.391 57.638 59.018 0.019 0.000 1.377 384 C CB 1.280 29.026 27.740 0.011 0.000 2.038 384 C HN 0.392 nan 8.230 nan 0.000 0.457 385 P HA 0.331 nan 4.420 nan 0.000 0.217 385 P C 0.349 177.616 177.300 -0.055 0.000 1.793 385 P CA -0.252 62.834 63.100 -0.023 0.000 1.236 385 P CB 0.065 31.761 31.700 -0.007 0.000 1.614 386 I N -2.268 118.244 120.570 -0.097 0.000 3.603 386 I HA 0.162 4.330 4.170 -0.004 0.000 0.297 386 I C -0.160 175.874 176.117 -0.138 0.000 1.269 386 I CA -0.047 61.157 61.300 -0.160 0.000 1.361 386 I CB -0.679 37.131 38.000 -0.316 0.000 1.063 386 I HN -0.009 nan 8.210 nan 0.000 0.448 387 N N 3.558 122.205 118.700 -0.088 0.000 2.725 387 N HA -0.207 4.531 4.740 -0.004 0.000 0.251 387 N C -0.488 174.996 175.510 -0.044 0.000 1.031 387 N CA 1.366 54.388 53.050 -0.046 0.000 0.720 387 N CB -0.933 37.539 38.487 -0.025 0.000 0.930 387 N HN 0.812 nan 8.380 nan 0.000 0.543 388 R N -1.533 118.925 120.500 -0.070 0.000 2.733 388 R HA 0.635 4.973 4.340 -0.004 0.000 0.272 388 R C -1.117 175.190 176.300 0.012 0.000 1.029 388 R CA -1.165 54.925 56.100 -0.017 0.000 0.888 388 R CB 1.698 31.984 30.300 -0.022 0.000 1.251 388 R HN 0.148 nan 8.270 nan 0.000 0.464 389 K N 0.004 120.463 120.400 0.098 0.000 2.527 389 K HA 0.472 4.789 4.320 -0.004 0.000 0.260 389 K C -0.966 175.733 176.600 0.164 0.000 0.937 389 K CA -0.944 55.372 56.287 0.048 0.000 0.826 389 K CB 1.541 34.048 32.500 0.012 0.000 1.359 389 K HN 0.548 nan 8.250 nan 0.000 0.434 390 F N -0.219 119.773 119.950 0.069 0.000 3.057 390 F HA -0.256 4.269 4.527 -0.004 0.000 0.287 390 F C 0.788 176.495 175.800 -0.156 0.000 0.834 390 F CA 0.728 58.694 58.000 -0.056 0.000 1.147 390 F CB -1.467 37.504 39.000 -0.048 0.000 1.245 390 F HN 0.932 nan 8.300 nan 0.000 0.509 391 G N -0.730 108.096 108.800 0.042 0.000 2.531 391 G HA2 0.501 4.458 3.960 -0.004 0.000 0.253 391 G HA3 0.501 4.458 3.960 -0.004 0.000 0.253 391 G C -1.014 173.531 174.900 -0.592 0.000 1.439 391 G CA 0.336 45.294 45.100 -0.236 0.000 1.056 391 G HN 0.138 nan 8.290 nan 0.000 0.555 392 D N -2.627 117.349 120.400 -0.707 0.000 2.602 392 D HA 0.546 5.184 4.640 -0.004 0.000 0.236 392 D C -1.257 174.781 176.300 -0.437 0.000 1.209 392 D CA -0.272 53.447 54.000 -0.469 0.000 0.831 392 D CB 2.389 43.119 40.800 -0.117 0.000 1.478 392 D HN 0.346 nan 8.370 nan 0.000 0.438 393 V N 1.304 121.137 119.914 -0.135 0.000 2.962 393 V HA 0.781 4.899 4.120 -0.004 0.000 0.313 393 V C -1.819 174.362 176.094 0.145 0.000 1.099 393 V CA -0.325 62.027 62.300 0.086 0.000 0.971 393 V CB 2.219 34.145 31.823 0.172 0.000 1.028 393 V HN 0.633 nan 8.190 nan 0.000 0.430 394 D N 2.032 122.538 120.400 0.176 0.000 2.769 394 D HA 0.321 4.959 4.640 -0.004 0.000 0.219 394 D C -1.299 175.061 176.300 0.101 0.000 1.245 394 D CA -0.006 54.051 54.000 0.095 0.000 0.801 394 D CB 2.385 43.197 40.800 0.019 0.000 1.598 394 D HN 0.788 nan 8.370 nan 0.000 0.485 395 V N 0.972 120.921 119.914 0.058 0.000 2.432 395 V HA 0.864 4.982 4.120 -0.004 0.000 0.275 395 V C -0.281 175.847 176.094 0.056 0.000 1.043 395 V CA -0.340 61.977 62.300 0.029 0.000 0.925 395 V CB 0.958 32.781 31.823 0.000 0.000 0.985 395 V HN 0.667 nan 8.190 nan 0.000 0.466 396 A N 5.626 128.503 122.820 0.095 0.000 2.582 396 A HA 0.752 5.070 4.320 -0.004 0.000 0.336 396 A C 1.278 178.905 177.584 0.072 0.000 1.445 396 A CA 0.369 52.478 52.037 0.121 0.000 0.997 396 A CB -0.401 18.752 19.000 0.256 0.000 1.148 396 A HN 2.617 nan 8.150 nan 0.000 0.514 397 G N 2.798 111.624 108.800 0.043 0.000 2.677 397 G HA2 -0.415 3.543 3.960 -0.004 0.000 0.321 397 G HA3 -0.415 3.543 3.960 -0.004 0.000 0.321 397 G C 1.241 176.146 174.900 0.008 0.000 1.181 397 G CA 0.821 45.938 45.100 0.028 0.000 0.965 397 G HN 0.597 nan 8.290 nan 0.000 0.548 398 N N 2.589 121.289 118.700 0.000 0.000 2.197 398 N HA 0.096 4.834 4.740 -0.004 0.000 0.184 398 N C 0.580 176.039 175.510 -0.085 0.000 1.030 398 N CA 1.479 54.514 53.050 -0.025 0.000 0.851 398 N CB -0.457 38.025 38.487 -0.009 0.000 1.003 398 N HN 0.771 nan 8.380 nan 0.000 0.430 399 D N 0.282 120.603 120.400 -0.131 0.000 2.362 399 D HA 0.210 4.848 4.640 -0.004 0.000 0.242 399 D C -0.257 175.745 176.300 -0.498 0.000 1.132 399 D CA -0.247 53.547 54.000 -0.343 0.000 0.907 399 D CB 1.237 41.773 40.800 -0.440 0.000 1.195 399 D HN -0.225 nan 8.370 nan 0.000 0.429 400 V N 1.406 120.969 119.914 -0.586 0.000 2.409 400 V HA 0.360 4.478 4.120 -0.004 0.000 0.291 400 V C -0.795 175.031 176.094 -0.446 0.000 1.020 400 V CA -0.764 61.302 62.300 -0.390 0.000 0.848 400 V CB 0.345 32.056 31.823 -0.188 0.000 0.990 400 V HN 0.429 nan 8.190 nan 0.000 0.430 401 F N 4.247 124.276 119.950 0.132 0.000 2.444 401 F HA 0.537 5.062 4.527 -0.004 0.000 0.342 401 F C -0.412 175.564 175.800 0.293 0.000 1.121 401 F CA -0.668 57.456 58.000 0.206 0.000 0.997 401 F CB 1.514 40.661 39.000 0.245 0.000 1.130 401 F HN 0.431 nan 8.300 nan 0.000 0.454 402 Y N 5.144 125.624 120.300 0.301 0.000 2.352 402 Y HA 0.591 5.139 4.550 -0.004 0.000 0.339 402 Y C -0.644 175.292 175.900 0.060 0.000 0.992 402 Y CA -0.970 57.241 58.100 0.186 0.000 1.100 402 Y CB 1.260 39.776 38.460 0.095 0.000 1.192 402 Y HN 0.512 nan 8.280 nan 0.000 0.458 403 M N 5.631 125.095 119.600 -0.226 0.000 2.464 403 M HA 0.534 5.012 4.480 -0.004 0.000 0.308 403 M C 0.206 176.418 176.300 -0.146 0.000 1.127 403 M CA 0.389 55.470 55.300 -0.365 0.000 0.913 403 M CB 1.345 33.206 32.600 -1.233 0.000 1.689 403 M HN 0.925 nan 8.290 nan 0.000 0.445 404 G N 3.108 111.868 108.800 -0.066 0.000 2.564 404 G HA2 0.139 4.097 3.960 -0.004 0.000 0.273 404 G HA3 0.139 4.097 3.960 -0.004 0.000 0.273 404 G C 0.294 175.339 174.900 0.242 0.000 1.242 404 G CA 0.194 45.325 45.100 0.053 0.000 0.951 404 G HN 2.162 nan 8.290 nan 0.000 0.564 405 G N -2.526 106.444 108.800 0.284 0.000 2.685 405 G HA2 0.466 4.424 3.960 -0.004 0.000 0.387 405 G HA3 0.466 4.424 3.960 -0.004 0.000 0.387 405 G C 0.077 175.080 174.900 0.171 0.000 1.324 405 G CA 0.902 46.148 45.100 0.244 0.000 0.878 405 G HN 2.893 nan 8.290 nan 0.000 0.527 406 S N -1.114 114.685 115.700 0.165 0.000 2.542 406 S HA 0.771 5.239 4.470 -0.004 0.000 0.293 406 S C 0.000 174.669 174.600 0.114 0.000 1.089 406 S CA 0.156 58.427 58.200 0.117 0.000 0.961 406 S CB 1.785 65.033 63.200 0.080 0.000 1.062 406 S HN 1.920 nan 8.310 nan 0.000 0.483 407 N N 0.180 118.947 118.700 0.112 0.000 2.595 407 N HA 0.271 5.009 4.740 -0.004 0.000 0.291 407 N C -2.346 173.234 175.510 0.117 0.000 1.706 407 N CA -1.117 51.990 53.050 0.094 0.000 0.867 407 N CB 0.540 39.064 38.487 0.061 0.000 1.414 407 N HN 0.467 nan 8.380 nan 0.000 0.492 408 P HA 0.203 nan 4.420 nan 0.000 0.267 408 P C -0.720 176.640 177.300 0.100 0.000 1.289 408 P CA 0.126 63.302 63.100 0.127 0.000 0.866 408 P CB -0.026 31.739 31.700 0.108 0.000 1.309 409 Y N 0.862 121.165 120.300 0.005 0.000 2.307 409 Y HA 0.332 4.880 4.550 -0.004 0.000 0.324 409 Y C 1.346 177.245 175.900 -0.003 0.000 1.238 409 Y CA -0.583 57.513 58.100 -0.007 0.000 1.280 409 Y CB 0.890 39.341 38.460 -0.015 0.000 1.248 409 Y HN -0.314 nan 8.280 nan 0.000 0.508 410 R N 1.660 122.208 120.500 0.080 0.000 2.389 410 R HA 0.464 4.802 4.340 -0.004 0.000 0.295 410 R C -0.869 175.455 176.300 0.039 0.000 1.075 410 R CA -0.470 55.652 56.100 0.036 0.000 1.005 410 R CB 0.482 30.765 30.300 -0.028 0.000 0.987 410 R HN 0.501 nan 8.270 nan 0.000 0.452 411 V N 0.030 119.957 119.914 0.022 0.000 3.001 411 V HA 0.446 4.564 4.120 -0.004 0.000 0.314 411 V C -0.210 175.837 176.094 -0.077 0.000 1.099 411 V CA -1.043 61.250 62.300 -0.013 0.000 0.989 411 V CB 2.306 34.139 31.823 0.017 0.000 1.040 411 V HN 0.897 nan 8.190 nan 0.000 0.434 412 N N -0.419 118.200 118.700 -0.135 0.000 2.235 412 N HA 0.174 4.912 4.740 -0.004 0.000 0.231 412 N C -0.096 175.302 175.510 -0.186 0.000 1.177 412 N CA -0.468 52.431 53.050 -0.253 0.000 0.874 412 N CB 0.057 38.320 38.487 -0.374 0.000 1.097 412 N HN 0.889 nan 8.380 nan 0.000 0.518 413 E N 0.824 120.973 120.200 -0.086 0.000 2.313 413 E HA 0.365 4.713 4.350 -0.004 0.000 0.272 413 E C -0.213 176.373 176.600 -0.023 0.000 1.038 413 E CA -0.609 55.772 56.400 -0.033 0.000 0.863 413 E CB 1.757 31.454 29.700 -0.005 0.000 1.060 413 E HN 0.165 nan 8.360 nan 0.000 0.402 414 I N 2.913 123.467 120.570 -0.027 0.000 2.321 414 I HA 0.230 4.398 4.170 -0.004 0.000 0.291 414 I C -0.190 175.972 176.117 0.074 0.000 0.998 414 I CA -0.674 60.609 61.300 -0.028 0.000 1.227 414 I CB 0.565 38.434 38.000 -0.218 0.000 1.368 414 I HN 0.279 nan 8.210 nan 0.000 0.466 415 L N 5.947 127.260 121.223 0.150 0.000 2.325 415 L HA 0.428 4.766 4.340 -0.004 0.000 0.279 415 L C -0.004 177.006 176.870 0.232 0.000 1.054 415 L CA -0.414 54.515 54.840 0.149 0.000 0.804 415 L CB 1.354 43.472 42.059 0.097 0.000 1.200 415 L HN 0.612 nan 8.230 nan 0.000 0.436 416 Q N 2.909 122.815 119.800 0.177 0.000 2.293 416 Q HA 0.559 4.897 4.340 -0.004 0.000 0.261 416 Q C -1.501 174.490 176.000 -0.015 0.000 0.960 416 Q CA -0.633 55.231 55.803 0.101 0.000 0.882 416 Q CB 1.558 30.367 28.738 0.119 0.000 1.275 416 Q HN 0.541 nan 8.270 nan 0.000 0.445 417 L N 2.696 123.860 121.223 -0.097 0.000 2.287 417 L HA 0.450 4.788 4.340 -0.004 0.000 0.287 417 L C -0.574 176.185 176.870 -0.186 0.000 1.022 417 L CA -0.679 54.089 54.840 -0.120 0.000 0.814 417 L CB 1.893 43.893 42.059 -0.099 0.000 1.217 417 L HN 0.579 nan 8.230 nan 0.000 0.420 418 S N 4.714 120.290 115.700 -0.205 0.000 2.423 418 S HA 0.517 4.985 4.470 -0.004 0.000 0.317 418 S C -0.002 174.271 174.600 -0.545 0.000 1.065 418 S CA -0.473 57.544 58.200 -0.305 0.000 1.111 418 S CB 0.419 63.488 63.200 -0.217 0.000 0.968 418 S HN 0.354 nan 8.310 nan 0.000 0.474 419 I N 4.368 124.658 120.570 -0.466 0.000 2.325 419 I HA 0.346 4.513 4.170 -0.004 0.000 0.291 419 I C 0.230 176.113 176.117 -0.389 0.000 1.019 419 I CA -0.384 60.638 61.300 -0.462 0.000 1.302 419 I CB 0.370 38.109 38.000 -0.434 0.000 1.401 419 I HN 0.629 nan 8.210 nan 0.000 0.485 420 H N 3.401 122.453 119.070 -0.029 0.000 2.771 420 H HA 0.219 4.773 4.556 -0.004 0.000 0.344 420 H C -0.116 175.275 175.328 0.105 0.000 1.260 420 H CA -0.690 55.389 56.048 0.052 0.000 1.276 420 H CB 1.410 31.209 29.762 0.062 0.000 1.881 420 H HN 0.471 nan 8.280 nan 0.000 0.615 421 Y N 0.917 121.336 120.300 0.198 0.000 2.497 421 Y HA -0.201 4.347 4.550 -0.004 0.000 0.292 421 Y C 1.513 177.487 175.900 0.123 0.000 1.137 421 Y CA 1.633 59.816 58.100 0.138 0.000 1.285 421 Y CB 0.284 38.800 38.460 0.092 0.000 0.991 421 Y HN 0.704 nan 8.280 nan 0.000 0.556 422 D N -1.005 119.574 120.400 0.298 0.000 2.431 422 D HA 0.080 4.718 4.640 -0.004 0.000 0.235 422 D C 0.298 176.691 176.300 0.155 0.000 0.980 422 D CA 0.601 54.725 54.000 0.208 0.000 0.912 422 D CB 0.097 40.994 40.800 0.161 0.000 1.056 422 D HN 0.394 nan 8.370 nan 0.000 0.494 423 K N -1.035 119.462 120.400 0.161 0.000 2.395 423 K HA 0.651 4.969 4.320 -0.004 0.000 0.272 423 K C -1.355 175.256 176.600 0.019 0.000 0.984 423 K CA -0.883 55.462 56.287 0.096 0.000 0.816 423 K CB 1.272 33.830 32.500 0.096 0.000 1.504 423 K HN -0.082 nan 8.250 nan 0.000 0.375 424 I N 1.421 121.969 120.570 -0.036 0.000 2.499 424 I HA 0.287 4.455 4.170 -0.004 0.000 0.288 424 I C -1.207 174.860 176.117 -0.083 0.000 1.048 424 I CA -0.927 60.283 61.300 -0.149 0.000 1.062 424 I CB 2.017 39.909 38.000 -0.181 0.000 1.238 424 I HN 0.540 nan 8.210 nan 0.000 0.426 425 D N 7.520 127.861 120.400 -0.100 0.000 2.354 425 D HA 0.559 5.197 4.640 -0.004 0.000 0.247 425 D C -0.229 176.042 176.300 -0.049 0.000 1.138 425 D CA -0.061 53.924 54.000 -0.024 0.000 0.958 425 D CB 1.473 42.297 40.800 0.040 0.000 1.144 425 D HN 0.445 nan 8.370 nan 0.000 0.458 426 M N -0.915 118.674 119.600 -0.017 0.000 2.322 426 M HA 0.432 4.910 4.480 -0.004 0.000 0.285 426 M C -1.863 174.444 176.300 0.013 0.000 1.119 426 M CA -0.900 54.392 55.300 -0.012 0.000 0.953 426 M CB 2.838 35.422 32.600 -0.027 0.000 1.701 426 M HN 0.230 nan 8.290 nan 0.000 0.479 427 K N 1.751 122.169 120.400 0.031 0.000 2.422 427 K HA 0.550 4.867 4.320 -0.004 0.000 0.251 427 K C -1.292 175.345 176.600 0.063 0.000 0.933 427 K CA -0.853 55.461 56.287 0.045 0.000 0.798 427 K CB 1.862 34.393 32.500 0.051 0.000 1.238 427 K HN 0.665 nan 8.250 nan 0.000 0.428 428 N N 2.462 121.194 118.700 0.054 0.000 2.475 428 N HA 0.141 4.879 4.740 -0.004 0.000 0.267 428 N C -0.499 175.057 175.510 0.076 0.000 1.169 428 N CA 0.032 53.118 53.050 0.059 0.000 0.947 428 N CB 0.527 39.039 38.487 0.042 0.000 1.061 428 N HN 0.528 nan 8.380 nan 0.000 0.466 429 I N 2.528 123.151 120.570 0.088 0.000 2.291 429 I HA 0.090 4.257 4.170 -0.004 0.000 0.290 429 I C 0.497 176.665 176.117 0.086 0.000 1.050 429 I CA -0.466 60.895 61.300 0.102 0.000 1.245 429 I CB 0.500 38.577 38.000 0.127 0.000 1.405 429 I HN 0.268 nan 8.210 nan 0.000 0.478 430 E N 5.315 125.569 120.200 0.091 0.000 2.373 430 E HA 0.348 4.696 4.350 -0.004 0.000 0.263 430 E C -0.429 176.249 176.600 0.131 0.000 1.073 430 E CA -0.630 55.826 56.400 0.094 0.000 0.894 430 E CB 1.337 31.080 29.700 0.073 0.000 1.008 430 E HN 0.440 nan 8.360 nan 0.000 0.420 431 V N -0.784 119.223 119.914 0.155 0.000 2.769 431 V HA 0.338 4.456 4.120 -0.004 0.000 0.312 431 V C 0.326 176.504 176.094 0.139 0.000 1.058 431 V CA -0.555 61.866 62.300 0.202 0.000 0.952 431 V CB 1.973 34.006 31.823 0.350 0.000 1.019 431 V HN 0.691 nan 8.190 nan 0.000 0.445 432 S N 1.361 117.122 115.700 0.103 0.000 2.486 432 S HA 0.081 4.549 4.470 -0.004 0.000 0.220 432 S C 0.969 175.620 174.600 0.086 0.000 1.011 432 S CA 0.457 58.698 58.200 0.069 0.000 0.921 432 S CB -0.132 63.083 63.200 0.026 0.000 0.785 432 S HN 1.104 nan 8.310 nan 0.000 0.517 433 S N 2.046 117.823 115.700 0.128 0.000 2.580 433 S HA 0.299 4.767 4.470 -0.004 0.000 0.274 433 S C 1.197 175.890 174.600 0.155 0.000 1.329 433 S CA -0.282 58.010 58.200 0.154 0.000 1.036 433 S CB 1.342 64.678 63.200 0.227 0.000 0.919 433 S HN 0.313 nan 8.310 nan 0.000 0.515 434 S N 1.121 116.896 115.700 0.125 0.000 2.377 434 S HA 0.003 4.471 4.470 -0.004 0.000 0.223 434 S C 0.429 175.096 174.600 0.111 0.000 1.030 434 S CA 0.165 58.424 58.200 0.099 0.000 0.970 434 S CB -0.649 62.596 63.200 0.075 0.000 0.830 434 S HN 0.833 nan 8.310 nan 0.000 0.473 435 E N 1.950 122.250 120.200 0.166 0.000 2.324 435 E HA 0.394 4.742 4.350 -0.004 0.000 0.271 435 E C -0.752 175.962 176.600 0.190 0.000 1.028 435 E CA -0.299 56.236 56.400 0.225 0.000 0.890 435 E CB 1.271 31.172 29.700 0.335 0.000 1.004 435 E HN 0.404 nan 8.360 nan 0.000 0.431 436 V N 0.934 120.772 119.914 -0.126 0.000 2.971 436 V HA 0.508 4.626 4.120 -0.004 0.000 0.309 436 V C -2.616 172.675 176.094 -1.339 0.000 1.130 436 V CA -2.578 59.294 62.300 -0.714 0.000 0.964 436 V CB 1.652 33.209 31.823 -0.442 0.000 1.029 436 V HN 0.498 nan 8.190 nan 0.000 0.427 437 P HA 0.176 nan 4.420 nan 0.000 0.268 437 P C 0.180 176.902 177.300 -0.963 0.000 1.205 437 P CA 0.234 62.148 63.100 -1.976 0.000 0.771 437 P CB 1.174 31.479 31.700 -2.326 0.000 0.858 438 V N 0.005 119.596 119.914 -0.539 0.000 3.051 438 V HA 0.407 4.525 4.120 -0.004 0.000 0.306 438 V C 0.653 176.548 176.094 -0.332 0.000 1.083 438 V CA -0.899 61.200 62.300 -0.334 0.000 1.104 438 V CB -0.659 31.055 31.823 -0.181 0.000 1.027 438 V HN 0.729 nan 8.190 nan 0.000 0.483 439 A N 4.577 127.257 122.820 -0.233 0.000 2.584 439 A HA 0.453 4.771 4.320 -0.004 0.000 0.239 439 A C 0.626 178.118 177.584 -0.154 0.000 1.043 439 A CA 0.583 52.515 52.037 -0.175 0.000 0.756 439 A CB -0.334 18.609 19.000 -0.095 0.000 0.963 439 A HN 1.362 nan 8.150 nan 0.000 0.511 440 R N 1.628 122.050 120.500 -0.130 0.000 2.692 440 R HA 0.718 5.056 4.340 -0.004 0.000 0.269 440 R C -0.952 175.410 176.300 0.105 0.000 1.030 440 R CA -0.748 55.315 56.100 -0.062 0.000 0.882 440 R CB 1.065 31.299 30.300 -0.111 0.000 1.250 440 R HN 0.930 nan 8.270 nan 0.000 0.465 441 M N -0.498 119.165 119.600 0.106 0.000 2.727 441 M HA 0.579 5.057 4.480 -0.004 0.000 0.300 441 M C -0.544 175.791 176.300 0.057 0.000 1.246 441 M CA -0.698 54.675 55.300 0.120 0.000 0.835 441 M CB 2.082 34.700 32.600 0.030 0.000 1.755 441 M HN 0.777 nan 8.290 nan 0.000 0.473 442 C N 1.339 120.609 119.300 -0.050 0.000 4.365 442 C HA -0.126 4.332 4.460 -0.004 0.000 0.299 442 C C 0.415 175.377 174.990 -0.046 0.000 1.409 442 C CA 1.095 60.088 59.018 -0.041 0.000 2.007 442 C CB -3.634 24.135 27.740 0.049 0.000 1.264 442 C HN 1.051 nan 8.230 nan 0.000 0.777 443 H N -0.402 118.663 119.070 -0.008 0.000 2.669 443 H HA 0.779 5.333 4.556 -0.003 0.000 0.318 443 H C 0.245 175.531 175.328 -0.070 0.000 1.429 443 H CA 0.265 56.321 56.048 0.014 0.000 1.460 443 H CB 0.920 30.724 29.762 0.069 0.000 1.784 443 H HN 0.427 nan 8.280 nan 0.000 0.750 444 T N -1.837 112.876 114.554 0.267 0.000 2.932 444 T HA 0.529 4.877 4.350 -0.004 0.000 0.289 444 T C -1.008 173.973 174.700 0.468 0.000 1.039 444 T CA -0.801 61.441 62.100 0.237 0.000 1.024 444 T CB 1.630 70.634 68.868 0.227 0.000 1.090 444 T HN 0.448 nan 8.240 nan 0.000 0.496 445 F N 1.146 121.187 119.950 0.152 0.000 2.730 445 F HA 0.553 5.078 4.527 -0.004 0.000 0.335 445 F C -1.020 174.844 175.800 0.106 0.000 1.212 445 F CA -0.499 57.591 58.000 0.150 0.000 1.016 445 F CB 1.724 40.805 39.000 0.134 0.000 1.290 445 F HN 0.824 nan 8.300 nan 0.000 0.495 446 T N 3.329 117.798 114.554 -0.141 0.000 2.921 446 T HA 0.331 4.679 4.350 -0.004 0.000 0.297 446 T C -0.492 174.109 174.700 -0.165 0.000 1.013 446 T CA -0.687 61.355 62.100 -0.097 0.000 0.990 446 T CB 1.572 70.452 68.868 0.020 0.000 1.023 446 T HN 0.431 nan 8.240 nan 0.000 0.447 447 T N 4.547 119.032 114.554 -0.115 0.000 2.829 447 T HA 0.396 4.744 4.350 -0.004 0.000 0.293 447 T C 0.587 175.269 174.700 -0.031 0.000 0.970 447 T CA -0.037 62.016 62.100 -0.077 0.000 1.168 447 T CB -0.600 68.258 68.868 -0.017 0.000 0.911 447 T HN 0.582 nan 8.240 nan 0.000 0.535 448 I N -0.900 119.654 120.570 -0.027 0.000 3.239 448 I HA 0.725 4.893 4.170 -0.004 0.000 0.314 448 I C 0.029 176.149 176.117 0.005 0.000 1.126 448 I CA -1.372 59.933 61.300 0.008 0.000 0.973 448 I CB 1.858 39.881 38.000 0.038 0.000 1.252 448 I HN 0.509 nan 8.210 nan 0.000 0.463 449 S N 1.303 117.011 115.700 0.013 0.000 3.783 449 S HA -0.159 4.309 4.470 -0.004 0.000 0.360 449 S C 0.321 174.923 174.600 0.003 0.000 1.006 449 S CA 0.903 59.106 58.200 0.005 0.000 1.115 449 S CB -1.358 61.841 63.200 -0.002 0.000 0.893 449 S HN 0.864 nan 8.310 nan 0.000 0.475 450 R N -0.121 120.384 120.500 0.008 0.000 3.333 450 R HA -0.230 4.108 4.340 -0.004 0.000 0.256 450 R C 0.213 176.522 176.300 0.014 0.000 1.010 450 R CA 0.564 56.671 56.100 0.011 0.000 0.680 450 R CB -2.160 28.145 30.300 0.008 0.000 1.102 450 R HN 0.618 nan 8.270 nan 0.000 0.440 451 N N -1.445 117.266 118.700 0.017 0.000 2.828 451 N HA -0.203 4.535 4.740 -0.004 0.000 0.248 451 N C 0.227 175.754 175.510 0.028 0.000 1.044 451 N CA 1.545 54.612 53.050 0.028 0.000 0.851 451 N CB -1.021 37.489 38.487 0.037 0.000 1.136 451 N HN 0.554 nan 8.380 nan 0.000 0.572 452 N N 0.091 118.794 118.700 0.006 0.000 2.392 452 N HA 0.054 4.792 4.740 -0.004 0.000 0.177 452 N C 0.233 175.717 175.510 -0.044 0.000 1.066 452 N CA 0.692 53.735 53.050 -0.011 0.000 0.895 452 N CB 0.484 38.959 38.487 -0.019 0.000 0.988 452 N HN 0.546 nan 8.380 nan 0.000 0.457 453 Q N -0.352 119.422 119.800 -0.043 0.000 2.683 453 Q HA 0.587 4.925 4.340 -0.004 0.000 0.302 453 Q C -1.259 174.687 176.000 -0.090 0.000 1.042 453 Q CA -0.651 55.108 55.803 -0.072 0.000 0.773 453 Q CB 2.586 31.292 28.738 -0.052 0.000 1.508 453 Q HN -0.043 nan 8.270 nan 0.000 0.459 454 L N 1.643 122.798 121.223 -0.113 0.000 2.409 454 L HA 0.451 4.789 4.340 -0.004 0.000 0.272 454 L C -1.478 175.319 176.870 -0.122 0.000 0.980 454 L CA -0.732 53.931 54.840 -0.295 0.000 0.826 454 L CB 1.850 43.529 42.059 -0.634 0.000 1.268 454 L HN 0.373 nan 8.230 nan 0.000 0.407 455 L N 4.300 125.454 121.223 -0.115 0.000 2.275 455 L HA 0.527 4.865 4.340 -0.004 0.000 0.288 455 L C -0.936 176.094 176.870 0.267 0.000 1.046 455 L CA -0.182 54.708 54.840 0.083 0.000 0.805 455 L CB 1.382 43.451 42.059 0.016 0.000 1.193 455 L HN 0.495 nan 8.230 nan 0.000 0.426 456 L N 6.803 128.294 121.223 0.447 0.000 2.298 456 L HA 0.588 4.926 4.340 -0.004 0.000 0.284 456 L C -1.137 175.937 176.870 0.340 0.000 1.013 456 L CA -0.071 55.074 54.840 0.508 0.000 0.824 456 L CB 0.963 43.337 42.059 0.524 0.000 1.221 456 L HN 0.426 nan 8.230 nan 0.000 0.418 457 I N 5.966 126.735 120.570 0.331 0.000 2.389 457 I HA 0.610 4.778 4.170 -0.004 0.000 0.288 457 I C 0.996 177.311 176.117 0.330 0.000 0.999 457 I CA 0.077 61.535 61.300 0.263 0.000 1.129 457 I CB 0.498 38.623 38.000 0.207 0.000 1.288 457 I HN 0.837 nan 8.210 nan 0.000 0.444 458 G N 5.199 114.120 108.800 0.201 0.000 2.550 458 G HA2 0.119 4.077 3.960 -0.004 0.000 0.277 458 G HA3 0.119 4.077 3.960 -0.004 0.000 0.277 458 G C 0.319 175.397 174.900 0.296 0.000 1.190 458 G CA 0.341 45.573 45.100 0.220 0.000 0.971 458 G HN 1.796 nan 8.290 nan 0.000 0.559 459 G N -1.400 107.646 108.800 0.410 0.000 2.610 459 G HA2 0.518 4.476 3.960 -0.004 0.000 0.304 459 G HA3 0.518 4.476 3.960 -0.004 0.000 0.304 459 G C -0.290 174.687 174.900 0.128 0.000 1.309 459 G CA 0.989 46.269 45.100 0.300 0.000 0.906 459 G HN 2.629 nan 8.290 nan 0.000 0.521 460 R N -1.178 119.281 120.500 -0.067 0.000 2.734 460 R HA 0.788 5.126 4.340 -0.004 0.000 0.271 460 R C 0.322 176.488 176.300 -0.223 0.000 1.021 460 R CA -0.917 55.016 56.100 -0.279 0.000 0.893 460 R CB 1.398 31.195 30.300 -0.837 0.000 1.244 460 R HN 0.600 nan 8.270 nan 0.000 0.464 461 K N 0.796 121.061 120.400 -0.225 0.000 3.590 461 K HA 0.423 4.741 4.320 -0.004 0.000 0.170 461 K C 0.553 177.025 176.600 -0.213 0.000 1.138 461 K CA 0.061 56.238 56.287 -0.184 0.000 1.560 461 K CB -0.105 32.306 32.500 -0.149 0.000 2.149 461 K HN 0.586 nan 8.250 nan 0.000 0.487 462 A N 1.940 124.660 122.820 -0.166 0.000 2.406 462 A HA 0.132 4.450 4.320 -0.004 0.000 0.243 462 A C -1.967 175.543 177.584 -0.124 0.000 1.082 462 A CA -0.934 51.052 52.037 -0.085 0.000 0.786 462 A CB -0.308 18.770 19.000 0.130 0.000 1.029 462 A HN 0.189 nan 8.150 nan 0.000 0.495 463 P HA -0.212 nan 4.420 nan 0.000 0.217 463 P C 0.850 178.156 177.300 0.011 0.000 1.148 463 P CA 2.004 65.024 63.100 -0.133 0.000 0.828 463 P CB -0.128 31.549 31.700 -0.037 0.000 0.783 464 H N -1.692 117.321 119.070 -0.096 0.000 2.539 464 H HA 0.183 4.737 4.556 -0.004 0.000 0.267 464 H C 0.173 175.476 175.328 -0.042 0.000 0.982 464 H CA 0.267 56.295 56.048 -0.033 0.000 1.146 464 H CB -0.741 29.003 29.762 -0.030 0.000 1.382 464 H HN 0.219 nan 8.280 nan 0.000 0.577 465 Q N 1.363 120.973 119.800 -0.317 0.000 2.769 465 Q HA 0.345 4.683 4.340 -0.004 0.000 0.375 465 Q C 0.216 176.097 176.000 -0.198 0.000 0.996 465 Q CA -0.472 55.142 55.803 -0.314 0.000 1.042 465 Q CB 1.306 29.814 28.738 -0.383 0.000 1.329 465 Q HN 0.465 nan 8.270 nan 0.000 0.427 466 G N 0.914 109.669 108.800 -0.075 0.000 2.554 466 G HA2 0.320 4.278 3.960 -0.004 0.000 0.238 466 G HA3 0.320 4.278 3.960 -0.004 0.000 0.238 466 G C -0.310 174.618 174.900 0.046 0.000 1.259 466 G CA -0.275 44.860 45.100 0.059 0.000 0.843 466 G HN 0.324 nan 8.290 nan 0.000 0.582 467 L N 0.706 121.977 121.223 0.081 0.000 2.334 467 L HA 0.418 4.756 4.340 -0.004 0.000 0.273 467 L C 1.077 177.983 176.870 0.060 0.000 1.013 467 L CA -0.706 54.164 54.840 0.051 0.000 0.816 467 L CB 2.299 44.384 42.059 0.043 0.000 1.278 467 L HN 0.695 nan 8.230 nan 0.000 0.431 468 S N -2.065 113.653 115.700 0.030 0.000 2.559 468 S HA 0.047 4.515 4.470 -0.004 0.000 0.226 468 S C 0.135 174.737 174.600 0.003 0.000 1.030 468 S CA -0.572 57.627 58.200 -0.002 0.000 0.956 468 S CB -0.062 63.123 63.200 -0.025 0.000 0.900 468 S HN 0.729 nan 8.310 nan 0.000 0.510 469 D N 2.493 122.919 120.400 0.043 0.000 2.312 469 D HA 0.208 4.846 4.640 -0.004 0.000 0.252 469 D C -0.823 175.554 176.300 0.128 0.000 1.150 469 D CA -0.250 53.777 54.000 0.046 0.000 0.870 469 D CB 0.472 41.330 40.800 0.096 0.000 1.153 469 D HN 0.085 nan 8.370 nan 0.000 0.457 470 N N 2.429 121.150 118.700 0.035 0.000 2.370 470 N HA 0.403 5.141 4.740 -0.004 0.000 0.303 470 N C -0.871 174.667 175.510 0.048 0.000 1.103 470 N CA -0.414 52.728 53.050 0.152 0.000 0.848 470 N CB 1.423 39.994 38.487 0.140 0.000 1.235 470 N HN 0.485 nan 8.380 nan 0.000 0.496 471 W N 0.622 121.999 121.300 0.128 0.000 2.992 471 W HA 0.648 5.306 4.660 -0.004 0.000 0.342 471 W C -0.221 176.500 176.519 0.337 0.000 1.176 471 W CA -0.511 56.978 57.345 0.241 0.000 1.118 471 W CB 1.012 30.635 29.460 0.272 0.000 1.457 471 W HN 0.144 nan 8.180 nan 0.000 0.573 472 I N 1.512 122.451 120.570 0.615 0.000 2.608 472 I HA 0.394 4.562 4.170 -0.004 0.000 0.295 472 I C -1.411 174.932 176.117 0.376 0.000 1.049 472 I CA -1.086 60.456 61.300 0.405 0.000 1.063 472 I CB 2.023 40.140 38.000 0.194 0.000 1.248 472 I HN 0.174 nan 8.210 nan 0.000 0.424 473 F N 4.121 124.017 119.950 -0.089 0.000 2.467 473 F HA 0.386 4.911 4.527 -0.003 0.000 0.336 473 F C -0.414 175.193 175.800 -0.321 0.000 1.123 473 F CA -0.607 57.100 58.000 -0.488 0.000 0.964 473 F CB 1.270 39.680 39.000 -0.983 0.000 1.136 473 F HN 0.374 nan 8.300 nan 0.000 0.447 474 D N 5.819 125.688 120.400 -0.885 0.000 2.359 474 D HA 0.248 4.886 4.640 -0.004 0.000 0.230 474 D C 0.942 176.725 176.300 -0.861 0.000 1.118 474 D CA -0.102 53.521 54.000 -0.629 0.000 0.844 474 D CB 1.107 41.672 40.800 -0.392 0.000 1.059 474 D HN 0.635 nan 8.370 nan 0.000 0.493 475 M N 2.135 121.425 119.600 -0.516 0.000 2.159 475 M HA -0.109 4.369 4.480 -0.004 0.000 0.263 475 M C 1.840 178.000 176.300 -0.234 0.000 1.063 475 M CA 1.249 56.342 55.300 -0.345 0.000 1.110 475 M CB -0.060 32.471 32.600 -0.116 0.000 1.374 475 M HN 0.316 nan 8.290 nan 0.000 0.411 476 K N -0.172 120.116 120.400 -0.187 0.000 2.097 476 K HA -0.119 4.199 4.320 -0.004 0.000 0.206 476 K C 2.074 178.593 176.600 -0.134 0.000 1.049 476 K CA 1.908 58.124 56.287 -0.117 0.000 0.933 476 K CB -0.303 32.146 32.500 -0.086 0.000 0.717 476 K HN 0.499 nan 8.250 nan 0.000 0.442 477 T N -2.728 111.702 114.554 -0.206 0.000 3.022 477 T HA 0.129 4.477 4.350 -0.004 0.000 0.250 477 T C 0.423 174.983 174.700 -0.232 0.000 1.060 477 T CA -0.385 61.608 62.100 -0.177 0.000 1.013 477 T CB 0.117 68.892 68.868 -0.155 0.000 0.982 477 T HN 0.141 nan 8.240 nan 0.000 0.508 478 R N 1.135 121.383 120.500 -0.419 0.000 3.516 478 R HA -0.124 4.214 4.340 -0.004 0.000 0.271 478 R C -0.924 175.118 176.300 -0.429 0.000 1.098 478 R CA 0.711 56.510 56.100 -0.502 0.000 0.732 478 R CB -2.133 28.109 30.300 -0.097 0.000 1.152 478 R HN 0.661 nan 8.270 nan 0.000 0.455 479 E N -0.441 119.434 120.200 -0.542 0.000 2.183 479 E HA 0.252 4.600 4.350 -0.004 0.000 0.271 479 E C -0.555 175.926 176.600 -0.197 0.000 0.919 479 E CA -0.687 55.583 56.400 -0.217 0.000 0.781 479 E CB 0.885 30.528 29.700 -0.094 0.000 1.140 479 E HN 0.105 nan 8.360 nan 0.000 0.402 480 W N 1.716 123.120 121.300 0.173 0.000 2.316 480 W HA 0.269 4.927 4.660 -0.004 0.000 0.321 480 W C 0.041 176.773 176.519 0.355 0.000 1.203 480 W CA -0.194 57.354 57.345 0.338 0.000 1.214 480 W CB 1.353 30.984 29.460 0.285 0.000 1.169 480 W HN 0.373 nan 8.180 nan 0.000 0.561 481 S N 3.622 119.760 115.700 0.730 0.000 2.668 481 S HA 0.419 4.886 4.470 -0.004 0.000 0.277 481 S C -0.919 173.804 174.600 0.204 0.000 1.170 481 S CA -1.052 57.391 58.200 0.405 0.000 0.994 481 S CB 0.985 64.297 63.200 0.186 0.000 1.051 481 S HN 0.590 nan 8.310 nan 0.000 0.484 482 M N 5.458 124.836 119.600 -0.371 0.000 2.228 482 M HA 0.456 4.934 4.480 -0.004 0.000 0.351 482 M C -0.223 175.854 176.300 -0.373 0.000 1.233 482 M CA -0.321 54.433 55.300 -0.910 0.000 1.129 482 M CB 0.272 31.917 32.600 -1.591 0.000 1.604 482 M HN 0.874 nan 8.290 nan 0.000 0.457 483 I N 0.862 121.273 120.570 -0.264 0.000 4.030 483 I HA 0.500 4.668 4.170 -0.004 0.000 0.248 483 I C -0.286 175.790 176.117 -0.068 0.000 1.284 483 I CA -1.230 60.014 61.300 -0.093 0.000 1.223 483 I CB 0.584 38.588 38.000 0.006 0.000 1.446 483 I HN 0.608 nan 8.210 nan 0.000 0.519 484 K N 1.685 122.105 120.400 0.035 0.000 2.451 484 K HA 0.123 4.441 4.320 -0.004 0.000 0.280 484 K C -0.125 176.564 176.600 0.147 0.000 1.020 484 K CA -0.051 56.291 56.287 0.093 0.000 1.008 484 K CB 0.450 33.047 32.500 0.161 0.000 0.917 484 K HN 0.778 nan 8.250 nan 0.000 0.478 485 S N 3.870 119.614 115.700 0.073 0.000 2.669 485 S HA 0.345 4.812 4.470 -0.004 0.000 0.270 485 S C 0.355 174.976 174.600 0.035 0.000 1.225 485 S CA -1.062 57.162 58.200 0.040 0.000 0.991 485 S CB 0.685 63.869 63.200 -0.025 0.000 0.987 485 S HN 0.520 nan 8.310 nan 0.000 0.552 486 L N 1.320 122.493 121.223 -0.083 0.000 2.436 486 L HA 0.235 4.573 4.340 -0.004 0.000 0.265 486 L C 1.393 178.195 176.870 -0.113 0.000 1.168 486 L CA -0.474 54.253 54.840 -0.188 0.000 0.815 486 L CB 0.636 42.548 42.059 -0.245 0.000 1.109 486 L HN 0.791 nan 8.230 nan 0.000 0.462 487 S N -1.166 114.463 115.700 -0.119 0.000 2.436 487 S HA -0.013 4.455 4.470 -0.004 0.000 0.228 487 S C -0.122 174.204 174.600 -0.456 0.000 1.014 487 S CA 0.714 58.761 58.200 -0.256 0.000 0.950 487 S CB -0.138 62.895 63.200 -0.279 0.000 0.784 487 S HN 0.557 nan 8.310 nan 0.000 0.504 488 H N 0.461 119.478 119.070 -0.089 0.000 2.589 488 H HA 0.386 4.940 4.556 -0.003 0.000 0.351 488 H C 0.132 175.415 175.328 -0.075 0.000 1.074 488 H CA -0.928 55.078 56.048 -0.069 0.000 1.203 488 H CB 0.829 30.551 29.762 -0.067 0.000 1.558 488 H HN 0.018 nan 8.280 nan 0.000 0.522 489 T N 0.772 115.368 114.554 0.071 0.000 2.932 489 T HA 0.211 4.559 4.350 -0.004 0.000 0.312 489 T C 0.273 175.021 174.700 0.080 0.000 1.071 489 T CA -0.640 61.501 62.100 0.069 0.000 1.128 489 T CB 0.773 69.698 68.868 0.096 0.000 0.984 489 T HN 0.720 nan 8.240 nan 0.000 0.549 490 R N 2.543 123.099 120.500 0.094 0.000 2.508 490 R HA 0.530 4.868 4.340 -0.004 0.000 0.283 490 R C -1.580 174.896 176.300 0.293 0.000 1.120 490 R CA -0.944 55.186 56.100 0.049 0.000 0.958 490 R CB 1.081 31.278 30.300 -0.173 0.000 1.215 490 R HN 0.796 nan 8.270 nan 0.000 0.427 491 F N 0.948 121.026 119.950 0.214 0.000 2.629 491 F HA 0.645 5.170 4.527 -0.004 0.000 0.316 491 F C 0.445 176.351 175.800 0.177 0.000 1.081 491 F CA -1.117 57.042 58.000 0.266 0.000 0.954 491 F CB 1.396 40.458 39.000 0.103 0.000 1.337 491 F HN 0.514 nan 8.300 nan 0.000 0.474 492 R N 0.189 120.768 120.500 0.130 0.000 3.989 492 R HA -0.175 4.162 4.340 -0.004 0.000 0.377 492 R C -0.108 176.137 176.300 -0.092 0.000 1.158 492 R CA 1.147 57.223 56.100 -0.041 0.000 1.035 492 R CB -2.636 27.638 30.300 -0.043 0.000 1.557 492 R HN 1.065 nan 8.270 nan 0.000 0.551 493 H N -0.671 118.386 119.070 -0.021 0.000 2.671 493 H HA 0.522 5.076 4.556 -0.004 0.000 0.372 493 H C 0.002 175.332 175.328 0.004 0.000 1.227 493 H CA -0.074 55.965 56.048 -0.015 0.000 1.426 493 H CB 0.739 30.501 29.762 -0.000 0.000 1.480 493 H HN -0.063 nan 8.280 nan 0.000 0.611 494 S N -0.567 115.182 115.700 0.082 0.000 2.648 494 S HA 0.778 5.246 4.470 -0.004 0.000 0.305 494 S C -0.565 174.111 174.600 0.128 0.000 1.094 494 S CA -0.325 57.897 58.200 0.037 0.000 0.983 494 S CB 1.820 65.036 63.200 0.026 0.000 1.101 494 S HN 1.013 nan 8.310 nan 0.000 0.514 495 A N 0.465 123.349 122.820 0.107 0.000 2.589 495 A HA 0.749 5.067 4.320 -0.004 0.000 0.296 495 A C -0.771 176.874 177.584 0.102 0.000 1.062 495 A CA -0.816 51.298 52.037 0.128 0.000 0.686 495 A CB 0.431 19.539 19.000 0.181 0.000 1.282 495 A HN 1.469 nan 8.150 nan 0.000 0.404 496 C N -0.381 118.977 119.300 0.096 0.000 3.173 496 C HA 0.898 5.356 4.460 -0.004 0.000 0.310 496 C C 0.170 175.190 174.990 0.050 0.000 1.306 496 C CA -0.634 58.439 59.018 0.093 0.000 1.426 496 C CB 1.069 28.897 27.740 0.147 0.000 1.800 496 C HN 1.169 nan 8.230 nan 0.000 0.470 497 S N 0.629 116.358 115.700 0.048 0.000 2.545 497 S HA 0.654 5.122 4.470 -0.004 0.000 0.275 497 S C -0.239 174.334 174.600 -0.045 0.000 1.299 497 S CA -0.413 57.792 58.200 0.007 0.000 1.048 497 S CB 0.010 63.227 63.200 0.028 0.000 0.938 497 S HN 0.609 nan 8.310 nan 0.000 0.496 498 L N 5.240 126.369 121.223 -0.157 0.000 2.400 498 L HA 0.384 4.722 4.340 -0.004 0.000 0.264 498 L C -1.395 175.414 176.870 -0.103 0.000 1.061 498 L CA -2.160 52.488 54.840 -0.320 0.000 0.799 498 L CB 0.535 42.218 42.059 -0.627 0.000 1.240 498 L HN 0.455 nan 8.230 nan 0.000 0.461 499 P HA -0.158 nan 4.420 nan 0.000 0.215 499 P C 0.583 177.918 177.300 0.059 0.000 1.153 499 P CA 1.095 64.245 63.100 0.083 0.000 0.853 499 P CB -0.037 31.762 31.700 0.164 0.000 0.788 500 D N -1.755 118.688 120.400 0.071 0.000 2.392 500 D HA 0.024 4.661 4.640 -0.004 0.000 0.228 500 D C 1.445 177.761 176.300 0.026 0.000 1.003 500 D CA 1.043 55.082 54.000 0.065 0.000 0.917 500 D CB -0.991 39.876 40.800 0.113 0.000 0.890 500 D HN 0.304 nan 8.370 nan 0.000 0.532 501 G N -0.665 108.138 108.800 0.005 0.000 2.213 501 G HA2 -0.266 3.691 3.960 -0.004 0.000 0.226 501 G HA3 -0.266 3.691 3.960 -0.004 0.000 0.226 501 G C 0.228 175.124 174.900 -0.007 0.000 0.992 501 G CA -0.097 45.004 45.100 0.002 0.000 0.632 501 G HN 0.391 nan 8.290 nan 0.000 0.511 502 N N -0.133 118.548 118.700 -0.033 0.000 2.381 502 N HA 0.479 5.217 4.740 -0.004 0.000 0.254 502 N C -0.038 175.446 175.510 -0.043 0.000 1.264 502 N CA 0.220 53.247 53.050 -0.038 0.000 0.942 502 N CB 1.457 39.907 38.487 -0.061 0.000 1.190 502 N HN 0.159 nan 8.380 nan 0.000 0.495 503 V N 1.803 121.734 119.914 0.029 0.000 2.409 503 V HA 0.227 4.345 4.120 -0.004 0.000 0.291 503 V C -0.170 175.944 176.094 0.034 0.000 1.020 503 V CA -0.827 61.503 62.300 0.049 0.000 0.848 503 V CB 1.538 33.444 31.823 0.138 0.000 0.990 503 V HN 0.400 nan 8.190 nan 0.000 0.430 504 L N 7.032 128.234 121.223 -0.035 0.000 2.305 504 L HA 0.581 4.919 4.340 -0.004 0.000 0.281 504 L C -0.457 176.440 176.870 0.044 0.000 1.085 504 L CA 0.533 55.350 54.840 -0.038 0.000 0.813 504 L CB 0.686 42.680 42.059 -0.109 0.000 1.157 504 L HN 0.527 nan 8.230 nan 0.000 0.436 505 I N 6.037 126.640 120.570 0.056 0.000 2.436 505 I HA 0.342 4.509 4.170 -0.004 0.000 0.289 505 I C -0.880 175.270 176.117 0.055 0.000 1.010 505 I CA -0.456 60.896 61.300 0.087 0.000 1.098 505 I CB 1.788 39.840 38.000 0.087 0.000 1.266 505 I HN 0.440 nan 8.210 nan 0.000 0.434 506 L N 6.545 127.826 121.223 0.097 0.000 2.319 506 L HA 0.537 4.875 4.340 -0.004 0.000 0.281 506 L C 0.915 177.852 176.870 0.111 0.000 1.005 506 L CA 0.131 55.029 54.840 0.096 0.000 0.828 506 L CB 1.065 43.190 42.059 0.111 0.000 1.227 506 L HN 0.921 nan 8.230 nan 0.000 0.415 507 G N 3.931 112.782 108.800 0.085 0.000 2.652 507 G HA2 -0.105 3.853 3.960 -0.004 0.000 0.318 507 G HA3 -0.105 3.853 3.960 -0.004 0.000 0.318 507 G C 0.510 175.437 174.900 0.045 0.000 1.295 507 G CA 0.215 45.352 45.100 0.061 0.000 0.999 507 G HN 1.737 nan 8.290 nan 0.000 0.548 508 G N -3.529 105.280 108.800 0.014 0.000 2.712 508 G HA2 0.282 4.240 3.960 -0.004 0.000 0.683 508 G HA3 0.282 4.240 3.960 -0.004 0.000 0.683 508 G C -0.247 174.557 174.900 -0.159 0.000 1.320 508 G CA 0.254 45.325 45.100 -0.048 0.000 0.847 508 G HN 1.954 nan 8.290 nan 0.000 0.553 509 V N 1.192 120.868 119.914 -0.396 0.000 2.446 509 V HA 0.592 4.710 4.120 -0.004 0.000 0.276 509 V C 0.973 176.877 176.094 -0.318 0.000 1.030 509 V CA 1.302 63.329 62.300 -0.456 0.000 1.033 509 V CB 0.396 31.667 31.823 -0.919 0.000 0.993 509 V HN 1.476 nan 8.190 nan 0.000 0.477 510 T N 3.206 117.673 114.554 -0.146 0.000 2.770 510 T HA 0.265 4.613 4.350 -0.004 0.000 0.323 510 T C -0.049 174.613 174.700 -0.062 0.000 1.683 510 T CA -0.494 61.557 62.100 -0.082 0.000 1.024 510 T CB 1.930 70.736 68.868 -0.102 0.000 1.557 510 T HN 0.612 nan 8.240 nan 0.000 0.494 511 E N 0.627 120.800 120.200 -0.045 0.000 2.489 511 E HA 0.253 4.601 4.350 -0.004 0.000 0.204 511 E C 1.019 177.438 176.600 -0.301 0.000 1.006 511 E CA 0.207 56.572 56.400 -0.059 0.000 0.936 511 E CB 0.730 30.482 29.700 0.087 0.000 1.002 511 E HN 0.711 nan 8.360 nan 0.000 0.488 512 G N 1.929 110.398 108.800 -0.551 0.000 2.531 512 G HA2 0.371 4.329 3.960 -0.004 0.000 0.281 512 G HA3 0.371 4.329 3.960 -0.004 0.000 0.281 512 G C -2.408 172.255 174.900 -0.396 0.000 1.382 512 G CA -1.009 43.511 45.100 -0.967 0.000 1.045 512 G HN -0.092 nan 8.290 nan 0.000 0.533 513 P HA 0.225 nan 4.420 nan 0.000 0.266 513 P C 0.515 177.760 177.300 -0.091 0.000 1.195 513 P CA 0.328 63.344 63.100 -0.139 0.000 0.768 513 P CB 1.112 32.754 31.700 -0.097 0.000 0.838 514 A N 3.331 126.131 122.820 -0.033 0.000 2.121 514 A HA -0.023 4.295 4.320 -0.004 0.000 0.218 514 A C 0.925 178.524 177.584 0.025 0.000 1.154 514 A CA 1.256 53.317 52.037 0.040 0.000 0.679 514 A CB -0.552 18.545 19.000 0.162 0.000 0.795 514 A HN 0.594 nan 8.150 nan 0.000 0.458 515 M N -0.172 119.396 119.600 -0.054 0.000 2.322 515 M HA 0.522 4.999 4.480 -0.004 0.000 0.286 515 M C -2.175 174.089 176.300 -0.061 0.000 1.111 515 M CA -0.344 54.907 55.300 -0.082 0.000 0.941 515 M CB 1.733 34.206 32.600 -0.212 0.000 1.671 515 M HN 0.110 nan 8.290 nan 0.000 0.470 516 L N 4.068 125.281 121.223 -0.017 0.000 2.342 516 L HA 0.690 5.028 4.340 -0.004 0.000 0.271 516 L C -1.347 175.576 176.870 0.089 0.000 1.008 516 L CA -1.054 53.819 54.840 0.054 0.000 0.818 516 L CB 2.339 44.448 42.059 0.083 0.000 1.296 516 L HN 0.627 nan 8.230 nan 0.000 0.427 517 L N 2.191 123.491 121.223 0.127 0.000 2.349 517 L HA 0.399 4.737 4.340 -0.004 0.000 0.278 517 L C -1.243 175.731 176.870 0.173 0.000 0.996 517 L CA -0.213 54.690 54.840 0.105 0.000 0.825 517 L CB 1.273 43.359 42.059 0.045 0.000 1.243 517 L HN 0.405 nan 8.230 nan 0.000 0.412 518 Y N 5.319 125.643 120.300 0.040 0.000 2.454 518 Y HA 0.369 4.916 4.550 -0.004 0.000 0.345 518 Y C 0.162 175.973 175.900 -0.149 0.000 0.970 518 Y CA -0.360 57.657 58.100 -0.138 0.000 1.204 518 Y CB 0.449 38.796 38.460 -0.188 0.000 1.122 518 Y HN 0.658 nan 8.280 nan 0.000 0.514 519 N N 5.742 124.065 118.700 -0.627 0.000 2.402 519 N HA 0.016 4.753 4.740 -0.004 0.000 0.259 519 N C 0.799 175.828 175.510 -0.802 0.000 1.167 519 N CA 0.267 53.009 53.050 -0.512 0.000 0.949 519 N CB 1.048 39.337 38.487 -0.331 0.000 1.212 519 N HN 0.685 nan 8.380 nan 0.000 0.493 520 V N 3.176 122.812 119.914 -0.463 0.000 2.343 520 V HA -0.209 3.909 4.120 -0.004 0.000 0.247 520 V C 2.106 178.083 176.094 -0.196 0.000 1.051 520 V CA 1.807 63.961 62.300 -0.243 0.000 1.036 520 V CB -0.820 31.016 31.823 0.021 0.000 0.654 520 V HN 0.588 nan 8.190 nan 0.000 0.451 521 T N -0.712 113.742 114.554 -0.168 0.000 2.809 521 T HA -0.090 4.258 4.350 -0.004 0.000 0.260 521 T C 1.910 176.524 174.700 -0.142 0.000 1.039 521 T CA 1.124 63.155 62.100 -0.116 0.000 1.141 521 T CB -0.211 68.609 68.868 -0.080 0.000 0.869 521 T HN 0.402 nan 8.240 nan 0.000 0.437 522 E N 1.023 121.109 120.200 -0.190 0.000 2.204 522 E HA -0.051 4.297 4.350 -0.004 0.000 0.194 522 E C 0.544 177.016 176.600 -0.213 0.000 0.989 522 E CA 0.414 56.709 56.400 -0.177 0.000 0.824 522 E CB -0.114 29.482 29.700 -0.173 0.000 0.756 522 E HN 0.580 nan 8.360 nan 0.000 0.477 523 E N -0.415 119.576 120.200 -0.349 0.000 2.442 523 E HA -0.203 4.145 4.350 -0.004 0.000 0.256 523 E C -0.624 175.772 176.600 -0.339 0.000 1.095 523 E CA 0.314 56.511 56.400 -0.337 0.000 0.747 523 E CB -1.670 27.960 29.700 -0.116 0.000 1.310 523 E HN 0.264 nan 8.360 nan 0.000 0.396 524 I N -0.412 119.850 120.570 -0.513 0.000 2.647 524 I HA 0.450 4.618 4.170 -0.004 0.000 0.295 524 I C 0.116 176.016 176.117 -0.362 0.000 1.078 524 I CA -0.920 60.203 61.300 -0.295 0.000 1.048 524 I CB 1.280 39.187 38.000 -0.154 0.000 1.239 524 I HN -0.155 nan 8.210 nan 0.000 0.421 525 F N 3.815 123.800 119.950 0.058 0.000 2.394 525 F HA 0.494 5.019 4.527 -0.004 0.000 0.340 525 F C 0.368 176.189 175.800 0.035 0.000 1.105 525 F CA -0.271 57.791 58.000 0.103 0.000 1.124 525 F CB 1.309 40.396 39.000 0.145 0.000 1.145 525 F HN 0.346 nan 8.300 nan 0.000 0.505 526 K N 2.212 122.736 120.400 0.206 0.000 2.378 526 K HA 0.197 4.515 4.320 -0.004 0.000 0.252 526 K C -1.498 175.154 176.600 0.086 0.000 0.931 526 K CA -0.878 55.473 56.287 0.107 0.000 0.794 526 K CB 1.428 33.957 32.500 0.048 0.000 1.181 526 K HN 0.515 nan 8.250 nan 0.000 0.425 527 D N 3.560 123.991 120.400 0.053 0.000 2.339 527 D HA 0.046 4.684 4.640 -0.004 0.000 0.256 527 D C 0.293 176.588 176.300 -0.009 0.000 1.214 527 D CA -0.146 53.863 54.000 0.015 0.000 0.877 527 D CB 1.142 41.946 40.800 0.006 0.000 1.111 527 D HN 0.313 nan 8.370 nan 0.000 0.478 528 V N 1.274 121.166 119.914 -0.037 0.000 3.070 528 V HA 0.282 4.400 4.120 -0.004 0.000 0.345 528 V C 0.496 176.503 176.094 -0.146 0.000 1.403 528 V CA -0.538 61.724 62.300 -0.062 0.000 1.155 528 V CB -0.396 31.405 31.823 -0.037 0.000 1.140 528 V HN 0.384 nan 8.190 nan 0.000 0.505 529 T N 5.005 119.463 114.554 -0.160 0.000 2.778 529 T HA 0.165 4.513 4.350 -0.004 0.000 0.282 529 T C -2.120 172.428 174.700 -0.254 0.000 0.983 529 T CA 0.418 62.359 62.100 -0.264 0.000 1.193 529 T CB 0.278 69.065 68.868 -0.136 0.000 0.938 529 T HN 0.474 nan 8.240 nan 0.000 0.523 530 P HA 0.113 nan 4.420 nan 0.000 0.267 530 P C 0.172 177.463 177.300 -0.015 0.000 1.200 530 P CA -0.242 62.731 63.100 -0.212 0.000 0.772 530 P CB 0.460 31.991 31.700 -0.282 0.000 0.855 531 K N 1.645 122.073 120.400 0.048 0.000 3.277 531 K HA 0.053 4.371 4.320 -0.004 0.000 0.280 531 K C 0.044 176.733 176.600 0.149 0.000 1.182 531 K CA 0.139 56.479 56.287 0.087 0.000 1.219 531 K CB -0.348 32.188 32.500 0.059 0.000 1.373 531 K HN 0.424 nan 8.250 nan 0.000 0.392 532 D N 0.422 120.976 120.400 0.256 0.000 2.256 532 D HA 0.067 4.705 4.640 -0.004 0.000 0.246 532 D C 0.372 176.851 176.300 0.298 0.000 1.042 532 D CA -0.342 53.836 54.000 0.297 0.000 0.841 532 D CB 1.408 42.452 40.800 0.405 0.000 1.223 532 D HN 0.078 nan 8.370 nan 0.000 0.470 533 E N 1.941 122.262 120.200 0.201 0.000 2.463 533 E HA -0.130 4.218 4.350 -0.004 0.000 0.201 533 E C 1.239 177.923 176.600 0.141 0.000 1.045 533 E CA 0.305 56.791 56.400 0.144 0.000 0.872 533 E CB -0.047 29.709 29.700 0.093 0.000 0.797 533 E HN 0.485 nan 8.360 nan 0.000 0.538 534 F N -0.005 119.963 119.950 0.030 0.000 2.146 534 F HA -0.151 4.374 4.527 -0.004 0.000 0.298 534 F C 1.159 176.876 175.800 -0.137 0.000 1.096 534 F CA 1.218 59.156 58.000 -0.104 0.000 1.275 534 F CB -0.014 38.828 39.000 -0.263 0.000 1.008 534 F HN -0.070 nan 8.300 nan 0.000 0.480 535 F N 0.719 120.755 119.950 0.143 0.000 2.725 535 F HA 0.077 4.602 4.527 -0.003 0.000 0.303 535 F C 2.039 177.826 175.800 -0.022 0.000 1.167 535 F CA 0.146 58.172 58.000 0.043 0.000 1.403 535 F CB -0.859 38.216 39.000 0.124 0.000 1.077 535 F HN 0.074 nan 8.300 nan 0.000 0.537 536 Q N 0.110 119.942 119.800 0.054 0.000 2.124 536 Q HA -0.116 4.222 4.340 -0.004 0.000 0.202 536 Q C 0.410 176.394 176.000 -0.027 0.000 0.977 536 Q CA 0.899 56.706 55.803 0.007 0.000 0.850 536 Q CB 0.048 28.762 28.738 -0.041 0.000 0.901 536 Q HN 0.335 nan 8.270 nan 0.000 0.429 537 N N 0.041 118.694 118.700 -0.078 0.000 2.417 537 N HA 0.116 4.854 4.740 -0.004 0.000 0.300 537 N C -1.146 174.420 175.510 0.093 0.000 1.102 537 N CA -0.093 52.939 53.050 -0.030 0.000 0.886 537 N CB 1.808 40.186 38.487 -0.182 0.000 1.203 537 N HN -0.087 nan 8.380 nan 0.000 0.496 538 S N 1.060 116.825 115.700 0.108 0.000 2.531 538 S HA 0.188 4.656 4.470 -0.004 0.000 0.279 538 S C -0.235 174.435 174.600 0.118 0.000 1.305 538 S CA -0.534 57.724 58.200 0.095 0.000 1.058 538 S CB -0.038 63.183 63.200 0.035 0.000 0.899 538 S HN 0.328 nan 8.310 nan 0.000 0.493 539 L N 7.147 128.401 121.223 0.052 0.000 2.257 539 L HA 0.504 4.842 4.340 -0.004 0.000 0.290 539 L C -0.778 176.063 176.870 -0.048 0.000 1.044 539 L CA -0.051 54.746 54.840 -0.072 0.000 0.810 539 L CB 1.244 43.279 42.059 -0.039 0.000 1.193 539 L HN 0.475 nan 8.230 nan 0.000 0.425 540 V N 4.437 124.309 119.914 -0.070 0.000 2.394 540 V HA 0.324 4.442 4.120 -0.004 0.000 0.282 540 V C 0.839 176.866 176.094 -0.110 0.000 1.031 540 V CA -0.489 61.796 62.300 -0.025 0.000 0.881 540 V CB 1.202 33.081 31.823 0.095 0.000 0.982 540 V HN 0.886 nan 8.190 nan 0.000 0.451 541 S N 2.485 118.085 115.700 -0.166 0.000 3.614 541 S HA -0.175 4.293 4.470 -0.004 0.000 0.360 541 S C 0.444 174.911 174.600 -0.221 0.000 1.023 541 S CA 0.582 58.613 58.200 -0.281 0.000 1.114 541 S CB -0.800 62.009 63.200 -0.651 0.000 0.907 541 S HN 1.384 nan 8.310 nan 0.000 0.470 542 A N 0.624 123.382 122.820 -0.103 0.000 2.286 542 A HA 0.746 5.064 4.320 -0.004 0.000 0.286 542 A C 0.916 178.480 177.584 -0.034 0.000 1.097 542 A CA 0.151 52.160 52.037 -0.045 0.000 0.821 542 A CB 0.424 19.430 19.000 0.009 0.000 1.076 542 A HN 0.905 nan 8.150 nan 0.000 0.490 543 G N -0.966 107.823 108.800 -0.019 0.000 2.483 543 G HA2 0.516 4.474 3.960 -0.004 0.000 0.248 543 G HA3 0.516 4.474 3.960 -0.004 0.000 0.248 543 G C -0.880 174.036 174.900 0.026 0.000 1.248 543 G CA -0.005 45.083 45.100 -0.020 0.000 0.838 543 G HN 1.240 nan 8.290 nan 0.000 0.566 544 L N 0.274 121.524 121.223 0.044 0.000 2.549 544 L HA 0.817 5.155 4.340 -0.004 0.000 0.259 544 L C -1.055 175.898 176.870 0.138 0.000 0.934 544 L CA -0.704 54.211 54.840 0.126 0.000 0.865 544 L CB 2.476 44.620 42.059 0.141 0.000 1.352 544 L HN 0.698 nan 8.230 nan 0.000 0.410 545 E N 3.149 123.479 120.200 0.216 0.000 2.380 545 E HA 0.544 4.892 4.350 -0.004 0.000 0.281 545 E C -2.287 174.547 176.600 0.391 0.000 0.999 545 E CA -0.378 56.172 56.400 0.249 0.000 0.800 545 E CB 1.339 31.129 29.700 0.150 0.000 1.228 545 E HN 0.442 nan 8.360 nan 0.000 0.436 546 F N 2.008 122.068 119.950 0.185 0.000 2.556 546 F HA 0.622 5.147 4.527 -0.004 0.000 0.327 546 F C -0.978 174.783 175.800 -0.065 0.000 1.059 546 F CA -0.755 57.285 58.000 0.067 0.000 0.953 546 F CB 1.860 40.883 39.000 0.038 0.000 1.227 546 F HN 0.440 nan 8.300 nan 0.000 0.478 547 D N 4.423 124.172 120.400 -1.085 0.000 2.469 547 D HA 0.417 5.054 4.640 -0.004 0.000 0.251 547 D C -2.264 173.589 176.300 -0.746 0.000 1.173 547 D CA -2.412 51.028 54.000 -0.933 0.000 0.882 547 D CB 2.101 42.013 40.800 -1.480 0.000 1.129 547 D HN 0.070 nan 8.370 nan 0.000 0.549 548 P HA -0.134 nan 4.420 nan 0.000 0.218 548 P C 1.361 178.608 177.300 -0.088 0.000 1.148 548 P CA 0.485 63.591 63.100 0.010 0.000 0.822 548 P CB 0.446 32.183 31.700 0.062 0.000 0.784 549 V N 0.574 120.379 119.914 -0.180 0.000 2.221 549 V HA -0.195 3.923 4.120 -0.004 0.000 0.240 549 V C 2.329 178.314 176.094 -0.181 0.000 1.041 549 V CA 2.587 64.797 62.300 -0.150 0.000 0.991 549 V CB -1.736 29.998 31.823 -0.147 0.000 0.634 549 V HN 0.230 nan 8.190 nan 0.000 0.450 550 S N -0.496 115.036 115.700 -0.281 0.000 2.653 550 S HA -0.111 4.356 4.470 -0.004 0.000 0.233 550 S C 0.956 175.401 174.600 -0.259 0.000 0.970 550 S CA 0.639 58.690 58.200 -0.249 0.000 0.947 550 S CB -0.786 62.245 63.200 -0.281 0.000 0.771 550 S HN 0.615 nan 8.310 nan 0.000 0.538 551 K N -0.149 120.080 120.400 -0.285 0.000 3.020 551 K HA -0.205 4.113 4.320 -0.004 0.000 0.266 551 K C -0.316 176.132 176.600 -0.253 0.000 1.067 551 K CA 0.950 57.146 56.287 -0.152 0.000 0.780 551 K CB -1.615 30.889 32.500 0.007 0.000 1.220 551 K HN 0.678 nan 8.250 nan 0.000 0.483 552 Q N -0.959 118.426 119.800 -0.691 0.000 2.413 552 Q HA 0.641 4.979 4.340 -0.004 0.000 0.276 552 Q C -0.065 175.313 176.000 -1.037 0.000 1.099 552 Q CA -0.666 54.771 55.803 -0.610 0.000 0.814 552 Q CB 2.593 31.121 28.738 -0.351 0.000 1.379 552 Q HN 0.264 nan 8.270 nan 0.000 0.436 553 G N 0.917 109.227 108.800 -0.818 0.000 2.574 553 G HA2 0.752 4.710 3.960 -0.004 0.000 0.299 553 G HA3 0.752 4.710 3.960 -0.004 0.000 0.299 553 G C -1.040 173.497 174.900 -0.606 0.000 1.298 553 G CA -0.448 44.260 45.100 -0.654 0.000 0.952 553 G HN 0.464 nan 8.290 nan 0.000 0.477 554 I N 0.125 120.670 120.570 -0.041 0.000 2.740 554 I HA 0.512 4.680 4.170 -0.004 0.000 0.303 554 I C -0.716 175.552 176.117 0.251 0.000 1.044 554 I CA -0.945 60.393 61.300 0.062 0.000 1.064 554 I CB 2.498 40.441 38.000 -0.094 0.000 1.249 554 I HN 0.169 nan 8.210 nan 0.000 0.433 555 I N 5.117 125.807 120.570 0.200 0.000 2.465 555 I HA 0.383 4.551 4.170 -0.004 0.000 0.291 555 I C -1.100 175.014 176.117 -0.006 0.000 1.014 555 I CA -0.650 60.741 61.300 0.151 0.000 1.093 555 I CB 2.271 40.394 38.000 0.205 0.000 1.267 555 I HN 0.230 nan 8.210 nan 0.000 0.431 556 L N 5.930 127.142 121.223 -0.019 0.000 2.365 556 L HA 0.638 4.976 4.340 -0.004 0.000 0.273 556 L C 0.721 177.594 176.870 0.005 0.000 1.000 556 L CA 0.359 55.150 54.840 -0.082 0.000 0.819 556 L CB 1.127 43.111 42.059 -0.126 0.000 1.284 556 L HN 0.879 nan 8.230 nan 0.000 0.418 557 G N 4.059 112.890 108.800 0.051 0.000 2.672 557 G HA2 -0.028 3.930 3.960 -0.004 0.000 0.324 557 G HA3 -0.028 3.930 3.960 -0.004 0.000 0.324 557 G C 0.508 175.451 174.900 0.071 0.000 1.286 557 G CA 0.323 45.495 45.100 0.120 0.000 1.004 557 G HN 2.147 nan 8.290 nan 0.000 0.548 558 G N -2.114 106.717 108.800 0.050 0.000 2.788 558 G HA2 0.547 4.505 3.960 -0.004 0.000 0.686 558 G HA3 0.547 4.505 3.960 -0.004 0.000 0.686 558 G C 0.431 175.274 174.900 -0.096 0.000 1.147 558 G CA 0.523 45.602 45.100 -0.036 0.000 0.755 558 G HN 2.377 nan 8.290 nan 0.000 0.634 559 G N -0.392 108.434 108.800 0.044 0.000 2.521 559 G HA2 0.871 4.829 3.960 -0.004 0.000 0.323 559 G HA3 0.871 4.829 3.960 -0.004 0.000 0.323 559 G C -0.506 174.238 174.900 -0.259 0.000 1.211 559 G CA -1.010 44.125 45.100 0.057 0.000 0.979 559 G HN 0.721 nan 8.290 nan 0.000 0.490 560 F N -1.153 118.906 119.950 0.182 0.000 2.541 560 F HA 0.391 4.916 4.527 -0.004 0.000 0.331 560 F C 1.588 177.444 175.800 0.093 0.000 1.057 560 F CA -0.822 57.234 58.000 0.093 0.000 0.975 560 F CB 2.262 41.287 39.000 0.043 0.000 1.246 560 F HN 0.237 nan 8.300 nan 0.000 0.484 561 M N 0.883 120.636 119.600 0.255 0.000 2.686 561 M HA -0.097 4.381 4.480 -0.004 0.000 0.246 561 M C 1.114 177.485 176.300 0.117 0.000 1.096 561 M CA 0.615 55.999 55.300 0.140 0.000 1.076 561 M CB -0.382 32.265 32.600 0.079 0.000 1.504 561 M HN 0.556 nan 8.290 nan 0.000 0.524 562 D N -0.349 120.140 120.400 0.147 0.000 2.355 562 D HA -0.139 4.499 4.640 -0.004 0.000 0.218 562 D C 0.510 176.901 176.300 0.151 0.000 1.004 562 D CA 0.362 54.421 54.000 0.100 0.000 0.880 562 D CB -0.292 40.548 40.800 0.067 0.000 0.911 562 D HN 0.401 nan 8.370 nan 0.000 0.528 563 Q N -1.278 118.638 119.800 0.193 0.000 2.468 563 Q HA -0.213 4.124 4.340 -0.004 0.000 0.256 563 Q C 0.236 176.485 176.000 0.415 0.000 0.984 563 Q CA 1.374 57.303 55.803 0.209 0.000 1.110 563 Q CB -2.118 26.686 28.738 0.110 0.000 1.527 563 Q HN 0.429 nan 8.270 nan 0.000 0.535 564 T N -2.186 112.610 114.554 0.404 0.000 3.221 564 T HA 0.042 4.390 4.350 -0.004 0.000 0.250 564 T C 0.594 175.586 174.700 0.487 0.000 0.988 564 T CA 0.796 63.192 62.100 0.494 0.000 1.163 564 T CB 0.400 69.393 68.868 0.208 0.000 1.098 564 T HN 0.213 nan 8.240 nan 0.000 0.422 565 T N 2.895 117.680 114.554 0.385 0.000 2.918 565 T HA 0.528 4.875 4.350 -0.004 0.000 0.302 565 T C -0.522 174.451 174.700 0.455 0.000 1.045 565 T CA -0.250 62.104 62.100 0.423 0.000 1.114 565 T CB 1.263 70.391 68.868 0.433 0.000 0.965 565 T HN -0.003 nan 8.240 nan 0.000 0.540 566 V N 2.398 122.535 119.914 0.373 0.000 2.569 566 V HA 0.379 4.496 4.120 -0.004 0.000 0.301 566 V C 0.343 176.588 176.094 0.252 0.000 1.044 566 V CA -1.008 61.445 62.300 0.256 0.000 0.874 566 V CB 1.950 33.916 31.823 0.238 0.000 1.002 566 V HN 1.069 nan 8.190 nan 0.000 0.424 567 S N 2.716 118.506 115.700 0.151 0.000 2.558 567 S HA 0.036 4.504 4.470 -0.004 0.000 0.288 567 S C 0.732 175.487 174.600 0.258 0.000 1.318 567 S CA 0.611 58.969 58.200 0.265 0.000 1.056 567 S CB 0.511 63.841 63.200 0.218 0.000 0.853 567 S HN 0.981 nan 8.310 nan 0.000 0.505 568 D N 1.698 122.269 120.400 0.285 0.000 2.431 568 D HA 0.203 4.841 4.640 -0.004 0.000 0.213 568 D C -0.163 176.353 176.300 0.360 0.000 1.130 568 D CA -0.248 53.929 54.000 0.295 0.000 0.834 568 D CB 0.117 41.051 40.800 0.223 0.000 0.985 568 D HN 0.196 nan 8.370 nan 0.000 0.504 569 K N 0.855 121.422 120.400 0.278 0.000 2.154 569 K HA 0.663 4.981 4.320 -0.004 0.000 0.264 569 K C -0.183 176.433 176.600 0.026 0.000 1.008 569 K CA -0.601 55.790 56.287 0.173 0.000 0.937 569 K CB 1.519 34.028 32.500 0.015 0.000 1.002 569 K HN 0.143 nan 8.250 nan 0.000 0.469 570 A N 3.542 126.300 122.820 -0.104 0.000 2.310 570 A HA 0.526 4.843 4.320 -0.004 0.000 0.304 570 A C -0.381 177.090 177.584 -0.188 0.000 1.231 570 A CA -0.738 51.094 52.037 -0.342 0.000 0.799 570 A CB 0.055 18.533 19.000 -0.870 0.000 1.162 570 A HN 0.646 nan 8.150 nan 0.000 0.486 571 I N 3.843 124.324 120.570 -0.147 0.000 2.328 571 I HA 0.257 4.425 4.170 -0.004 0.000 0.287 571 I C -0.707 175.464 176.117 0.091 0.000 1.012 571 I CA -0.531 60.722 61.300 -0.079 0.000 1.195 571 I CB 1.193 39.066 38.000 -0.212 0.000 1.350 571 I HN 0.480 nan 8.210 nan 0.000 0.464 572 I N 7.625 128.234 120.570 0.065 0.000 2.519 572 I HA 0.271 4.439 4.170 -0.004 0.000 0.287 572 I C -0.175 176.064 176.117 0.204 0.000 1.047 572 I CA 0.144 61.483 61.300 0.065 0.000 1.381 572 I CB 0.391 38.394 38.000 0.006 0.000 1.417 572 I HN 0.372 nan 8.210 nan 0.000 0.540 573 F N 4.017 124.045 119.950 0.131 0.000 2.631 573 F HA 0.776 5.301 4.527 -0.004 0.000 0.308 573 F C -0.979 174.951 175.800 0.217 0.000 1.097 573 F CA -1.296 56.804 58.000 0.167 0.000 0.952 573 F CB 1.186 40.303 39.000 0.195 0.000 1.307 573 F HN 0.424 nan 8.300 nan 0.000 0.450 574 K N 1.033 121.656 120.400 0.372 0.000 2.238 574 K HA 0.612 4.930 4.320 -0.004 0.000 0.239 574 K C -2.177 174.730 176.600 0.511 0.000 0.987 574 K CA -0.943 55.551 56.287 0.346 0.000 0.857 574 K CB 2.467 35.083 32.500 0.193 0.000 1.154 574 K HN 0.871 nan 8.250 nan 0.000 0.439 575 Y N 1.220 121.701 120.300 0.301 0.000 2.363 575 Y HA 0.218 4.766 4.550 -0.004 0.000 0.325 575 Y C -1.520 174.436 175.900 0.093 0.000 0.984 575 Y CA -1.226 56.974 58.100 0.168 0.000 1.248 575 Y CB 1.292 39.763 38.460 0.018 0.000 1.116 575 Y HN 0.776 nan 8.280 nan 0.000 0.470 576 D N 5.007 125.195 120.400 -0.353 0.000 2.393 576 D HA 0.298 4.935 4.640 -0.004 0.000 0.232 576 D C 0.945 176.831 176.300 -0.689 0.000 1.192 576 D CA 0.459 54.224 54.000 -0.392 0.000 0.882 576 D CB 1.299 42.000 40.800 -0.165 0.000 1.038 576 D HN 0.751 nan 8.370 nan 0.000 0.499 577 A N 4.014 126.347 122.820 -0.813 0.000 2.076 577 A HA -0.166 4.152 4.320 -0.004 0.000 0.220 577 A C 1.771 179.195 177.584 -0.266 0.000 1.160 577 A CA 1.238 52.889 52.037 -0.643 0.000 0.653 577 A CB -0.147 18.690 19.000 -0.271 0.000 0.801 577 A HN 0.672 nan 8.150 nan 0.000 0.455 578 E N -0.577 119.501 120.200 -0.203 0.000 2.216 578 E HA -0.026 4.322 4.350 -0.004 0.000 0.192 578 E C 0.206 176.752 176.600 -0.091 0.000 0.973 578 E CA -0.343 55.991 56.400 -0.110 0.000 0.851 578 E CB -0.057 29.595 29.700 -0.080 0.000 0.804 578 E HN 0.452 nan 8.360 nan 0.000 0.477 579 N N 1.187 119.822 118.700 -0.107 0.000 2.429 579 N HA -0.018 4.720 4.740 -0.004 0.000 0.271 579 N C 0.214 175.691 175.510 -0.055 0.000 1.272 579 N CA 0.122 53.130 53.050 -0.070 0.000 0.921 579 N CB 1.237 39.685 38.487 -0.065 0.000 1.128 579 N HN 0.070 nan 8.380 nan 0.000 0.481 580 A N 2.618 125.417 122.820 -0.035 0.000 2.072 580 A HA -0.043 4.275 4.320 -0.004 0.000 0.216 580 A C 1.694 179.271 177.584 -0.012 0.000 1.156 580 A CA 1.423 53.447 52.037 -0.022 0.000 0.701 580 A CB -0.127 18.861 19.000 -0.020 0.000 0.816 580 A HN 0.727 nan 8.150 nan 0.000 0.458 581 T N -3.807 110.740 114.554 -0.012 0.000 2.990 581 T HA 0.250 4.598 4.350 -0.004 0.000 0.250 581 T C 0.523 175.219 174.700 -0.007 0.000 1.041 581 T CA 0.650 62.746 62.100 -0.006 0.000 1.010 581 T CB 0.164 69.029 68.868 -0.005 0.000 1.003 581 T HN 0.386 nan 8.240 nan 0.000 0.499 582 E N 1.385 121.580 120.200 -0.009 0.000 3.832 582 E HA 0.274 4.621 4.350 -0.004 0.000 0.250 582 E C -2.406 174.192 176.600 -0.004 0.000 1.215 582 E CA -1.541 54.855 56.400 -0.006 0.000 1.179 582 E CB 1.142 30.842 29.700 -0.000 0.000 1.270 582 E HN 0.100 nan 8.360 nan 0.000 0.405 583 P HA -0.048 nan 4.420 nan 0.000 0.218 583 P C 0.174 177.519 177.300 0.075 0.000 1.149 583 P CA 0.627 63.722 63.100 -0.007 0.000 0.817 583 P CB 0.296 32.044 31.700 0.079 0.000 0.785 584 I N 0.418 121.043 120.570 0.091 0.000 2.336 584 I HA 0.197 4.365 4.170 -0.004 0.000 0.292 584 I C 0.268 176.432 176.117 0.079 0.000 0.991 584 I CA -0.265 61.102 61.300 0.112 0.000 1.227 584 I CB 0.827 38.798 38.000 -0.050 0.000 1.366 584 I HN -0.082 nan 8.210 nan 0.000 0.466 585 T N 3.073 117.729 114.554 0.171 0.000 2.841 585 T HA 0.507 4.855 4.350 -0.004 0.000 0.285 585 T C -0.280 174.559 174.700 0.231 0.000 0.991 585 T CA -0.717 61.476 62.100 0.155 0.000 0.966 585 T CB 1.711 70.652 68.868 0.122 0.000 0.962 585 T HN 0.123 nan 8.240 nan 0.000 0.438 586 V N 5.133 125.178 119.914 0.218 0.000 2.425 586 V HA 0.084 4.202 4.120 -0.004 0.000 0.276 586 V C 1.455 177.655 176.094 0.178 0.000 1.017 586 V CA 0.136 62.584 62.300 0.246 0.000 1.062 586 V CB -0.554 31.413 31.823 0.240 0.000 0.997 586 V HN 0.913 nan 8.190 nan 0.000 0.476 587 I N 3.636 124.312 120.570 0.176 0.000 2.400 587 I HA 0.082 4.250 4.170 -0.004 0.000 0.248 587 I C 1.121 177.287 176.117 0.082 0.000 1.109 587 I CA 0.951 62.319 61.300 0.113 0.000 1.425 587 I CB 0.190 38.245 38.000 0.091 0.000 1.094 587 I HN 0.565 nan 8.210 nan 0.000 0.425 588 K N 1.008 121.453 120.400 0.075 0.000 2.592 588 K HA 0.250 4.567 4.320 -0.004 0.000 0.259 588 K C -1.472 175.144 176.600 0.028 0.000 0.937 588 K CA -0.604 55.712 56.287 0.049 0.000 0.874 588 K CB 1.616 34.141 32.500 0.041 0.000 1.339 588 K HN -0.169 nan 8.250 nan 0.000 0.425 589 K N 4.312 124.724 120.400 0.020 0.000 2.185 589 K HA 0.503 4.821 4.320 -0.004 0.000 0.269 589 K C -0.544 176.085 176.600 0.047 0.000 0.987 589 K CA -0.686 55.600 56.287 -0.002 0.000 0.865 589 K CB 1.197 33.687 32.500 -0.017 0.000 1.090 589 K HN 0.401 nan 8.250 nan 0.000 0.450 590 L N 1.873 123.140 121.223 0.073 0.000 2.319 590 L HA 0.475 4.813 4.340 -0.004 0.000 0.267 590 L C -0.524 176.520 176.870 0.291 0.000 1.011 590 L CA -0.924 54.030 54.840 0.190 0.000 0.818 590 L CB 1.989 44.206 42.059 0.265 0.000 1.316 590 L HN 0.588 nan 8.230 nan 0.000 0.432 591 Q N 1.453 121.441 119.800 0.313 0.000 2.269 591 Q HA 0.400 4.738 4.340 -0.004 0.000 0.263 591 Q C -1.832 174.255 176.000 0.146 0.000 0.983 591 Q CA -0.590 55.376 55.803 0.272 0.000 0.777 591 Q CB 1.966 30.799 28.738 0.159 0.000 1.273 591 Q HN 0.676 nan 8.270 nan 0.000 0.440 592 H N 2.980 121.964 119.070 -0.142 0.000 2.996 592 H HA 0.355 4.909 4.556 -0.004 0.000 0.368 592 H C -2.294 172.886 175.328 -0.247 0.000 1.185 592 H CA -1.689 54.091 56.048 -0.448 0.000 1.160 592 H CB 2.277 31.343 29.762 -1.160 0.000 1.820 592 H HN 0.383 nan 8.280 nan 0.000 0.547 593 P HA -0.083 nan 4.420 nan 0.000 0.220 593 P C 1.133 178.453 177.300 0.034 0.000 1.148 593 P CA 1.029 64.028 63.100 -0.168 0.000 0.803 593 P CB 0.354 31.905 31.700 -0.249 0.000 0.782 594 L N -2.600 118.686 121.223 0.104 0.000 2.478 594 L HA 0.002 4.340 4.340 -0.004 0.000 0.223 594 L C 1.939 179.013 176.870 0.340 0.000 1.140 594 L CA 0.801 55.808 54.840 0.278 0.000 0.842 594 L CB -0.639 41.586 42.059 0.277 0.000 0.953 594 L HN -0.007 nan 8.230 nan 0.000 0.452 595 F N -0.622 119.466 119.950 0.230 0.000 2.615 595 F HA -0.041 4.484 4.527 -0.003 0.000 0.297 595 F C 1.680 177.583 175.800 0.171 0.000 1.124 595 F CA -0.343 57.752 58.000 0.159 0.000 1.451 595 F CB 0.188 39.272 39.000 0.139 0.000 1.103 595 F HN 0.076 nan 8.300 nan 0.000 0.569 596 Q N 2.874 122.891 119.800 0.362 0.000 2.780 596 Q HA 0.034 4.372 4.340 -0.004 0.000 0.234 596 Q C -0.564 175.628 176.000 0.321 0.000 1.355 596 Q CA -0.106 55.867 55.803 0.283 0.000 0.919 596 Q CB -0.195 28.659 28.738 0.193 0.000 1.645 596 Q HN 0.373 nan 8.270 nan 0.000 0.568 597 R N 1.653 122.343 120.500 0.316 0.000 2.574 597 R HA 0.256 4.593 4.340 -0.004 0.000 0.288 597 R C -1.668 174.822 176.300 0.318 0.000 1.004 597 R CA -0.966 55.351 56.100 0.360 0.000 0.895 597 R CB 0.789 31.317 30.300 0.381 0.000 1.191 597 R HN 0.245 nan 8.270 nan 0.000 0.444 598 Y N 2.298 122.748 120.300 0.249 0.000 2.350 598 Y HA 0.404 4.952 4.550 -0.004 0.000 0.340 598 Y C 1.083 177.128 175.900 0.243 0.000 1.006 598 Y CA 1.054 59.296 58.100 0.237 0.000 1.166 598 Y CB 1.258 39.920 38.460 0.338 0.000 1.168 598 Y HN 1.053 nan 8.280 nan 0.000 0.502 599 G N 3.515 112.172 108.800 -0.238 0.000 2.137 599 G HA2 -0.274 3.684 3.960 -0.004 0.000 0.237 599 G HA3 -0.274 3.684 3.960 -0.004 0.000 0.237 599 G C 0.047 174.936 174.900 -0.020 0.000 1.002 599 G CA 0.275 45.278 45.100 -0.162 0.000 0.702 599 G HN 1.061 nan 8.290 nan 0.000 0.515 600 S N -0.854 114.858 115.700 0.020 0.000 2.655 600 S HA 0.786 5.254 4.470 -0.004 0.000 0.265 600 S C -0.125 174.427 174.600 -0.079 0.000 1.240 600 S CA -0.315 57.925 58.200 0.066 0.000 0.986 600 S CB 1.892 65.150 63.200 0.097 0.000 0.985 600 S HN 0.439 nan 8.310 nan 0.000 0.562 601 Q N 0.560 120.348 119.800 -0.020 0.000 2.359 601 Q HA 0.553 4.891 4.340 -0.004 0.000 0.274 601 Q C -0.578 175.424 176.000 0.004 0.000 1.074 601 Q CA -0.522 55.232 55.803 -0.081 0.000 0.810 601 Q CB 2.118 30.727 28.738 -0.214 0.000 1.342 601 Q HN 0.900 nan 8.270 nan 0.000 0.427 602 I N -2.123 118.426 120.570 -0.035 0.000 2.846 602 I HA 0.786 4.953 4.170 -0.004 0.000 0.307 602 I C -0.927 175.150 176.117 -0.067 0.000 1.053 602 I CA -0.970 60.288 61.300 -0.069 0.000 1.050 602 I CB 2.669 40.592 38.000 -0.129 0.000 1.239 602 I HN 0.385 nan 8.210 nan 0.000 0.439 603 K N 3.054 123.387 120.400 -0.112 0.000 2.561 603 K HA 0.381 4.698 4.320 -0.004 0.000 0.254 603 K C -1.928 174.597 176.600 -0.125 0.000 0.942 603 K CA -0.600 55.646 56.287 -0.068 0.000 0.818 603 K CB 1.910 34.402 32.500 -0.013 0.000 1.306 603 K HN 0.615 nan 8.250 nan 0.000 0.435 604 Y N 4.060 124.322 120.300 -0.063 0.000 2.544 604 Y HA 0.027 4.575 4.550 -0.003 0.000 0.330 604 Y C 1.295 177.140 175.900 -0.091 0.000 1.136 604 Y CA 0.416 58.466 58.100 -0.082 0.000 1.417 604 Y CB 0.408 38.815 38.460 -0.088 0.000 1.229 604 Y HN 0.492 nan 8.280 nan 0.000 0.532 605 I N 0.626 121.203 120.570 0.011 0.000 3.526 605 I HA 0.064 4.232 4.170 -0.004 0.000 0.294 605 I C 0.334 176.470 176.117 0.032 0.000 1.229 605 I CA 0.636 61.893 61.300 -0.072 0.000 1.408 605 I CB 0.285 38.085 38.000 -0.332 0.000 1.127 605 I HN 0.459 nan 8.210 nan 0.000 0.439 606 T N 0.746 115.355 114.554 0.091 0.000 2.923 606 T HA 0.253 4.601 4.350 -0.004 0.000 0.311 606 T C -2.264 172.517 174.700 0.136 0.000 1.183 606 T CA -0.823 61.337 62.100 0.100 0.000 1.020 606 T CB 2.367 71.303 68.868 0.113 0.000 1.165 606 T HN -0.298 nan 8.240 nan 0.000 0.482 607 P HA -0.009 nan 4.420 nan 0.000 0.227 607 P C 1.084 178.421 177.300 0.063 0.000 1.145 607 P CA 0.781 63.852 63.100 -0.047 0.000 0.769 607 P CB 0.279 31.911 31.700 -0.112 0.000 0.769 608 R N -1.675 118.878 120.500 0.088 0.000 2.404 608 R HA 0.215 4.553 4.340 -0.004 0.000 0.237 608 R C 0.513 176.860 176.300 0.077 0.000 0.907 608 R CA 0.069 56.214 56.100 0.075 0.000 1.063 608 R CB 0.585 30.912 30.300 0.045 0.000 1.134 608 R HN 0.154 nan 8.270 nan 0.000 0.529 609 K N 1.416 121.872 120.400 0.095 0.000 2.572 609 K HA 0.239 4.557 4.320 -0.004 0.000 0.244 609 K C -1.403 175.168 176.600 -0.048 0.000 0.965 609 K CA -0.531 55.777 56.287 0.036 0.000 0.943 609 K CB 0.874 33.416 32.500 0.071 0.000 1.154 609 K HN -0.156 nan 8.250 nan 0.000 0.447 610 L N 6.227 127.360 121.223 -0.150 0.000 2.270 610 L HA 0.327 4.665 4.340 -0.004 0.000 0.286 610 L C -0.917 175.823 176.870 -0.216 0.000 1.059 610 L CA -0.719 53.925 54.840 -0.326 0.000 0.839 610 L CB 0.602 42.363 42.059 -0.497 0.000 1.221 610 L HN 0.582 nan 8.230 nan 0.000 0.431 611 L N 6.293 127.397 121.223 -0.198 0.000 2.499 611 L HA 0.335 4.673 4.340 -0.004 0.000 0.273 611 L C -0.576 176.221 176.870 -0.121 0.000 1.195 611 L CA 0.927 55.679 54.840 -0.147 0.000 0.882 611 L CB 0.134 42.099 42.059 -0.155 0.000 1.133 611 L HN 0.543 nan 8.230 nan 0.000 0.483 612 I N 5.315 125.837 120.570 -0.081 0.000 2.509 612 I HA 0.448 4.616 4.170 -0.004 0.000 0.293 612 I C -1.027 175.073 176.117 -0.028 0.000 1.020 612 I CA -0.833 60.437 61.300 -0.051 0.000 1.088 612 I CB 2.049 40.028 38.000 -0.034 0.000 1.267 612 I HN 0.239 nan 8.210 nan 0.000 0.430 613 V N 5.212 125.147 119.914 0.036 0.000 2.447 613 V HA 0.700 4.818 4.120 -0.004 0.000 0.292 613 V C 0.598 176.798 176.094 0.177 0.000 1.021 613 V CA -0.183 62.163 62.300 0.077 0.000 0.850 613 V CB 0.745 32.668 31.823 0.167 0.000 1.005 613 V HN 1.123 nan 8.190 nan 0.000 0.426 614 G N 3.939 112.732 108.800 -0.011 0.000 2.564 614 G HA2 0.323 4.281 3.960 -0.004 0.000 0.273 614 G HA3 0.323 4.281 3.960 -0.004 0.000 0.273 614 G C 0.630 175.633 174.900 0.171 0.000 1.242 614 G CA 0.096 45.220 45.100 0.041 0.000 0.951 614 G HN 2.581 nan 8.290 nan 0.000 0.564 615 G N -3.275 105.739 108.800 0.356 0.000 2.685 615 G HA2 0.497 4.455 3.960 -0.004 0.000 0.387 615 G HA3 0.497 4.455 3.960 -0.004 0.000 0.387 615 G C 0.182 175.396 174.900 0.524 0.000 1.324 615 G CA 0.779 46.122 45.100 0.404 0.000 0.878 615 G HN 2.992 nan 8.290 nan 0.000 0.527 616 T N -2.682 112.203 114.554 0.551 0.000 2.924 616 T HA 0.808 5.156 4.350 -0.004 0.000 0.291 616 T C -0.033 174.839 174.700 0.288 0.000 1.045 616 T CA 0.332 62.721 62.100 0.482 0.000 1.015 616 T CB 2.064 71.238 68.868 0.510 0.000 1.103 616 T HN 1.866 nan 8.240 nan 0.000 0.496 617 S N 0.855 116.490 115.700 -0.107 0.000 2.532 617 S HA 0.602 5.070 4.470 -0.004 0.000 0.301 617 S C -2.076 172.171 174.600 -0.589 0.000 1.083 617 S CA -2.005 56.006 58.200 -0.314 0.000 1.025 617 S CB 1.387 64.285 63.200 -0.505 0.000 1.056 617 S HN 0.572 nan 8.310 nan 0.000 0.494 618 P HA 0.066 nan 4.420 nan 0.000 0.231 618 P C 0.532 177.671 177.300 -0.268 0.000 1.168 618 P CA 0.437 63.023 63.100 -0.857 0.000 0.779 618 P CB 0.036 31.541 31.700 -0.325 0.000 0.844 619 S N -1.634 113.959 115.700 -0.179 0.000 2.574 619 S HA 0.585 5.053 4.470 -0.004 0.000 0.242 619 S C 0.713 175.096 174.600 -0.362 0.000 0.982 619 S CA -0.071 58.056 58.200 -0.123 0.000 0.977 619 S CB -0.579 62.573 63.200 -0.079 0.000 0.814 619 S HN 0.287 nan 8.310 nan 0.000 0.464 620 G N 0.805 109.114 108.800 -0.819 0.000 2.362 620 G HA2 0.119 4.077 3.960 -0.004 0.000 0.656 620 G HA3 0.119 4.077 3.960 -0.004 0.000 0.656 620 G C -1.063 173.261 174.900 -0.961 0.000 1.376 620 G CA -1.190 43.214 45.100 -1.161 0.000 0.971 620 G HN 0.336 nan 8.290 nan 0.000 0.636 621 L N -0.136 120.674 121.223 -0.688 0.000 2.452 621 L HA 0.522 4.860 4.340 -0.004 0.000 0.267 621 L C 0.504 177.196 176.870 -0.296 0.000 1.188 621 L CA -0.362 54.276 54.840 -0.337 0.000 0.821 621 L CB 0.467 42.463 42.059 -0.105 0.000 1.102 621 L HN 0.462 nan 8.230 nan 0.000 0.470 622 F N 0.303 120.296 119.950 0.072 0.000 2.377 622 F HA 0.208 4.733 4.527 -0.003 0.000 0.328 622 F C 0.454 176.354 175.800 0.167 0.000 1.094 622 F CA -0.556 57.499 58.000 0.091 0.000 1.093 622 F CB 1.362 40.432 39.000 0.117 0.000 1.214 622 F HN 0.586 nan 8.300 nan 0.000 0.518 623 D N -0.115 120.449 120.400 0.274 0.000 2.723 623 D HA 0.370 5.008 4.640 -0.004 0.000 0.247 623 D C 0.793 176.898 176.300 -0.325 0.000 1.134 623 D CA -0.672 53.338 54.000 0.016 0.000 1.099 623 D CB 0.480 41.225 40.800 -0.093 0.000 1.287 623 D HN 0.309 nan 8.370 nan 0.000 0.634 624 R N -1.059 118.883 120.500 -0.930 0.000 2.103 624 R HA -0.112 4.226 4.340 -0.004 0.000 0.242 624 R C 2.130 178.247 176.300 -0.304 0.000 1.142 624 R CA 2.320 57.943 56.100 -0.794 0.000 0.960 624 R CB -0.776 29.006 30.300 -0.863 0.000 0.858 624 R HN 0.752 nan 8.270 nan 0.000 0.439 625 T N -0.501 113.919 114.554 -0.222 0.000 2.978 625 T HA -0.048 4.299 4.350 -0.004 0.000 0.262 625 T C 1.261 175.923 174.700 -0.062 0.000 1.063 625 T CA 1.160 63.189 62.100 -0.118 0.000 1.140 625 T CB -0.083 68.729 68.868 -0.092 0.000 0.886 625 T HN 0.306 nan 8.240 nan 0.000 0.470 626 N N -0.034 118.651 118.700 -0.025 0.000 2.177 626 N HA 0.280 5.018 4.740 -0.004 0.000 0.218 626 N C 1.355 176.801 175.510 -0.107 0.000 1.182 626 N CA -0.015 53.032 53.050 -0.005 0.000 0.882 626 N CB -0.232 38.318 38.487 0.105 0.000 1.052 626 N HN 0.241 nan 8.380 nan 0.000 0.519 627 S N 0.197 115.859 115.700 -0.063 0.000 2.423 627 S HA 0.194 4.662 4.470 -0.004 0.000 0.231 627 S C 0.538 175.033 174.600 -0.174 0.000 1.014 627 S CA 0.533 58.660 58.200 -0.122 0.000 0.965 627 S CB -0.089 63.165 63.200 0.090 0.000 0.785 627 S HN 0.377 nan 8.310 nan 0.000 0.495 628 I N 2.032 122.535 120.570 -0.111 0.000 2.497 628 I HA 0.425 4.593 4.170 -0.004 0.000 0.284 628 I C -0.722 175.352 176.117 -0.072 0.000 1.060 628 I CA -0.514 60.731 61.300 -0.092 0.000 1.071 628 I CB 1.635 39.595 38.000 -0.067 0.000 1.216 628 I HN 0.116 nan 8.210 nan 0.000 0.442 629 I N 2.973 123.501 120.570 -0.069 0.000 2.957 629 I HA 0.788 4.956 4.170 -0.004 0.000 0.310 629 I C -0.110 175.987 176.117 -0.034 0.000 1.063 629 I CA -0.474 60.801 61.300 -0.042 0.000 1.033 629 I CB 2.355 40.339 38.000 -0.028 0.000 1.230 629 I HN 0.508 nan 8.210 nan 0.000 0.447 630 S N 3.957 119.644 115.700 -0.022 0.000 2.664 630 S HA 0.836 5.304 4.470 -0.004 0.000 0.304 630 S C -0.965 173.629 174.600 -0.010 0.000 1.099 630 S CA -0.654 57.530 58.200 -0.027 0.000 1.003 630 S CB 1.952 65.147 63.200 -0.008 0.000 1.092 630 S HN 0.816 nan 8.310 nan 0.000 0.525 631 L N 1.631 122.838 121.223 -0.027 0.000 2.436 631 L HA 0.580 4.918 4.340 -0.004 0.000 0.268 631 L C -1.582 175.277 176.870 -0.017 0.000 0.974 631 L CA -0.303 54.534 54.840 -0.006 0.000 0.826 631 L CB 2.060 44.113 42.059 -0.009 0.000 1.291 631 L HN 0.921 nan 8.230 nan 0.000 0.406 632 D N 6.283 126.688 120.400 0.008 0.000 2.467 632 D HA 0.337 4.975 4.640 -0.004 0.000 0.220 632 D C -1.975 174.337 176.300 0.019 0.000 1.103 632 D CA -1.921 52.088 54.000 0.016 0.000 0.886 632 D CB 1.963 42.775 40.800 0.020 0.000 1.025 632 D HN 0.342 nan 8.370 nan 0.000 0.514 633 P HA -0.187 nan 4.420 nan 0.000 0.216 633 P C 1.747 179.059 177.300 0.020 0.000 1.157 633 P CA 0.446 63.554 63.100 0.012 0.000 0.880 633 P CB 0.418 32.135 31.700 0.028 0.000 0.791 634 L N 0.062 121.297 121.223 0.020 0.000 1.937 634 L HA -0.134 4.204 4.340 -0.004 0.000 0.213 634 L C 1.990 178.872 176.870 0.020 0.000 1.077 634 L CA 3.062 57.912 54.840 0.017 0.000 0.758 634 L CB -1.483 40.583 42.059 0.012 0.000 0.888 634 L HN 0.091 nan 8.230 nan 0.000 0.433 635 S N -1.093 114.619 115.700 0.020 0.000 2.561 635 S HA -0.054 4.414 4.470 -0.004 0.000 0.225 635 S C 0.643 175.257 174.600 0.023 0.000 0.977 635 S CA 0.511 58.722 58.200 0.019 0.000 0.926 635 S CB -0.182 63.026 63.200 0.015 0.000 0.769 635 S HN 0.571 nan 8.310 nan 0.000 0.533 636 E N 0.880 121.099 120.200 0.030 0.000 2.759 636 E HA -0.144 4.204 4.350 -0.004 0.000 0.280 636 E C -0.489 176.126 176.600 0.025 0.000 1.009 636 E CA 0.759 57.186 56.400 0.044 0.000 0.849 636 E CB -2.470 27.261 29.700 0.051 0.000 1.415 636 E HN 0.832 nan 8.360 nan 0.000 0.412 637 T N -1.556 113.004 114.554 0.010 0.000 2.855 637 T HA 0.720 5.068 4.350 -0.004 0.000 0.281 637 T C 0.208 174.890 174.700 -0.029 0.000 1.007 637 T CA -0.932 61.158 62.100 -0.016 0.000 1.009 637 T CB 1.890 70.753 68.868 -0.009 0.000 0.983 637 T HN 0.134 nan 8.240 nan 0.000 0.455 638 L N 2.660 123.836 121.223 -0.080 0.000 2.334 638 L HA 0.769 5.107 4.340 -0.004 0.000 0.275 638 L C 0.710 177.546 176.870 -0.057 0.000 1.036 638 L CA -0.815 53.971 54.840 -0.090 0.000 0.807 638 L CB 1.976 43.900 42.059 -0.225 0.000 1.231 638 L HN 1.044 nan 8.230 nan 0.000 0.438 639 T N -1.144 113.389 114.554 -0.035 0.000 2.903 639 T HA 0.423 4.771 4.350 -0.004 0.000 0.299 639 T C -0.617 174.070 174.700 -0.021 0.000 1.093 639 T CA -0.659 61.428 62.100 -0.022 0.000 1.002 639 T CB 1.967 70.833 68.868 -0.004 0.000 1.127 639 T HN 0.535 nan 8.240 nan 0.000 0.488 640 S N 1.746 117.433 115.700 -0.020 0.000 2.554 640 S HA 0.631 5.098 4.470 -0.004 0.000 0.278 640 S C -0.215 174.374 174.600 -0.018 0.000 1.242 640 S CA -0.938 57.247 58.200 -0.025 0.000 1.051 640 S CB -0.060 63.121 63.200 -0.031 0.000 0.986 640 S HN 0.661 nan 8.310 nan 0.000 0.502 641 I N 4.931 125.486 120.570 -0.024 0.000 2.503 641 I HA 0.316 4.484 4.170 -0.004 0.000 0.277 641 I C -2.414 173.686 176.117 -0.029 0.000 1.078 641 I CA -2.323 58.968 61.300 -0.015 0.000 1.184 641 I CB 1.120 39.114 38.000 -0.010 0.000 1.353 641 I HN 0.430 nan 8.210 nan 0.000 0.490 642 P HA 0.169 nan 4.420 nan 0.000 0.269 642 P C -0.357 176.918 177.300 -0.043 0.000 1.209 642 P CA 0.109 63.175 63.100 -0.058 0.000 0.776 642 P CB 0.721 32.384 31.700 -0.061 0.000 0.876 643 I N 1.228 121.767 120.570 -0.052 0.000 2.315 643 I HA 0.147 4.315 4.170 -0.004 0.000 0.291 643 I C 0.932 177.046 176.117 -0.006 0.000 1.006 643 I CA -0.587 60.719 61.300 0.010 0.000 1.265 643 I CB 0.933 39.008 38.000 0.124 0.000 1.387 643 I HN 0.332 nan 8.210 nan 0.000 0.475 644 S N 5.617 121.325 115.700 0.013 0.000 2.568 644 S HA 0.155 4.623 4.470 -0.004 0.000 0.282 644 S C 1.176 175.806 174.600 0.050 0.000 1.338 644 S CA -0.389 57.813 58.200 0.004 0.000 1.045 644 S CB 0.950 64.150 63.200 0.001 0.000 0.873 644 S HN 0.663 nan 8.310 nan 0.000 0.516 645 R N 1.572 122.081 120.500 0.014 0.000 2.096 645 R HA -0.109 4.229 4.340 -0.004 0.000 0.240 645 R C 2.648 178.979 176.300 0.052 0.000 1.139 645 R CA 1.841 57.966 56.100 0.042 0.000 0.952 645 R CB -0.393 29.891 30.300 -0.026 0.000 0.854 645 R HN 0.658 nan 8.270 nan 0.000 0.436 646 R N 0.477 120.989 120.500 0.020 0.000 2.140 646 R HA -0.198 4.140 4.340 -0.004 0.000 0.250 646 R C 2.327 178.667 176.300 0.066 0.000 1.150 646 R CA 1.943 58.057 56.100 0.023 0.000 0.966 646 R CB -0.359 29.950 30.300 0.014 0.000 0.869 646 R HN 0.371 nan 8.270 nan 0.000 0.445 647 I N -0.926 119.692 120.570 0.080 0.000 2.867 647 I HA -0.153 4.014 4.170 -0.004 0.000 0.265 647 I C 2.038 178.261 176.117 0.176 0.000 1.162 647 I CA 0.402 61.757 61.300 0.091 0.000 1.471 647 I CB -0.269 37.734 38.000 0.005 0.000 1.123 647 I HN 0.349 nan 8.210 nan 0.000 0.440 648 W N 2.653 123.951 121.300 -0.003 0.000 2.321 648 W HA -0.246 4.412 4.660 -0.004 0.000 0.306 648 W C 1.816 178.356 176.519 0.036 0.000 1.217 648 W CA 2.041 59.399 57.345 0.022 0.000 1.257 648 W CB 0.015 29.478 29.460 0.006 0.000 1.145 648 W HN 0.275 nan 8.180 nan 0.000 0.509 649 E N -0.606 119.615 120.200 0.034 0.000 2.127 649 E HA -0.132 4.216 4.350 -0.004 0.000 0.191 649 E C 1.649 178.237 176.600 -0.020 0.000 0.964 649 E CA 0.879 57.187 56.400 -0.154 0.000 0.832 649 E CB -0.275 29.102 29.700 -0.540 0.000 0.790 649 E HN 0.108 nan 8.360 nan 0.000 0.465 650 D N -0.019 120.407 120.400 0.042 0.000 2.183 650 D HA -0.005 4.633 4.640 -0.004 0.000 0.205 650 D C 0.443 176.746 176.300 0.004 0.000 0.962 650 D CA 0.915 54.953 54.000 0.063 0.000 0.849 650 D CB 0.109 41.006 40.800 0.163 0.000 0.978 650 D HN 0.188 nan 8.370 nan 0.000 0.488 651 H N 0.617 119.681 119.070 -0.011 0.000 2.476 651 H HA 0.247 4.800 4.556 -0.004 0.000 0.328 651 H C 0.167 175.477 175.328 -0.031 0.000 1.073 651 H CA -0.530 55.512 56.048 -0.010 0.000 1.229 651 H CB 1.357 31.119 29.762 0.000 0.000 1.432 651 H HN -0.062 nan 8.280 nan 0.000 0.477 652 S N 4.069 119.787 115.700 0.030 0.000 2.670 652 S HA 0.027 4.495 4.470 -0.004 0.000 0.308 652 S C -0.020 174.588 174.600 0.014 0.000 1.232 652 S CA -0.453 57.749 58.200 0.003 0.000 1.126 652 S CB -0.170 63.029 63.200 -0.002 0.000 0.897 652 S HN 0.321 nan 8.310 nan 0.000 0.508 653 L N 3.779 124.986 121.223 -0.027 0.000 2.334 653 L HA 0.844 5.182 4.340 -0.004 0.000 0.276 653 L C -0.343 176.519 176.870 -0.013 0.000 1.014 653 L CA -0.517 54.307 54.840 -0.027 0.000 0.815 653 L CB 2.038 44.066 42.059 -0.053 0.000 1.268 653 L HN 0.932 nan 8.230 nan 0.000 0.428 654 M N 5.629 125.230 119.600 0.002 0.000 3.303 654 M HA 0.328 4.806 4.480 -0.004 0.000 0.371 654 M C -1.717 174.603 176.300 0.032 0.000 1.569 654 M CA -0.088 55.244 55.300 0.053 0.000 0.694 654 M CB 0.454 33.103 32.600 0.082 0.000 2.534 654 M HN 0.347 nan 8.290 nan 0.000 0.447 655 L N 2.531 123.740 121.223 -0.023 0.000 2.450 655 L HA 0.544 4.882 4.340 -0.004 0.000 0.256 655 L C 0.240 177.240 176.870 0.218 0.000 1.374 655 L CA -0.150 54.573 54.840 -0.194 0.000 1.210 655 L CB -0.942 40.920 42.059 -0.329 0.000 1.394 655 L HN 0.719 nan 8.230 nan 0.000 0.438 656 A N 0.723 123.746 122.820 0.338 0.000 2.488 656 A HA 0.643 4.961 4.320 -0.004 0.000 0.295 656 A C 0.612 178.217 177.584 0.034 0.000 1.045 656 A CA 0.065 52.303 52.037 0.335 0.000 0.703 656 A CB 1.558 20.742 19.000 0.307 0.000 1.271 656 A HN 0.580 nan 8.150 nan 0.000 0.400 657 G N 0.800 109.305 108.800 -0.493 0.000 2.221 657 G HA2 -0.120 3.838 3.960 -0.004 0.000 0.265 657 G HA3 -0.120 3.838 3.960 -0.004 0.000 0.265 657 G C -0.018 174.513 174.900 -0.615 0.000 1.041 657 G CA 1.055 45.188 45.100 -1.612 0.000 0.807 657 G HN 2.056 nan 8.290 nan 0.000 0.502 658 F N -0.629 119.119 119.950 -0.336 0.000 2.535 658 F HA 0.933 5.458 4.527 -0.003 0.000 0.367 658 F C 0.367 176.129 175.800 -0.063 0.000 1.096 658 F CA -0.848 57.071 58.000 -0.135 0.000 1.088 658 F CB 1.112 40.069 39.000 -0.072 0.000 1.387 658 F HN 0.126 nan 8.300 nan 0.000 0.494 659 S N -0.034 115.769 115.700 0.173 0.000 2.651 659 S HA 0.722 5.190 4.470 -0.004 0.000 0.279 659 S C -1.335 173.396 174.600 0.219 0.000 1.148 659 S CA -0.903 57.338 58.200 0.069 0.000 0.837 659 S CB 1.925 65.197 63.200 0.120 0.000 1.138 659 S HN 0.614 nan 8.310 nan 0.000 0.478 660 L N 1.973 123.275 121.223 0.131 0.000 2.356 660 L HA 0.767 5.105 4.340 -0.004 0.000 0.277 660 L C -0.723 176.212 176.870 0.109 0.000 0.996 660 L CA -0.986 53.938 54.840 0.141 0.000 0.822 660 L CB 1.560 43.688 42.059 0.114 0.000 1.256 660 L HN 0.546 nan 8.230 nan 0.000 0.413 661 V N -0.429 119.560 119.914 0.125 0.000 2.864 661 V HA 0.760 4.878 4.120 -0.004 0.000 0.314 661 V C -0.311 175.851 176.094 0.113 0.000 1.073 661 V CA -0.537 61.823 62.300 0.100 0.000 0.956 661 V CB 1.890 33.757 31.823 0.074 0.000 1.023 661 V HN 0.713 nan 8.190 nan 0.000 0.435 662 S N 1.722 117.470 115.700 0.081 0.000 2.532 662 S HA 0.673 5.141 4.470 -0.004 0.000 0.299 662 S C 0.148 174.787 174.600 0.066 0.000 1.105 662 S CA 0.106 58.353 58.200 0.078 0.000 1.018 662 S CB 1.440 64.668 63.200 0.048 0.000 1.021 662 S HN 1.526 nan 8.310 nan 0.000 0.483 668 I N 3.123 123.612 120.570 -0.135 0.000 2.460 668 I HA 0.451 4.618 4.170 -0.004 0.000 0.298 668 I C 0.100 176.111 176.117 -0.177 0.000 0.989 668 I CA -0.912 60.338 61.300 -0.082 0.000 1.173 668 I CB 1.274 39.225 38.000 -0.081 0.000 1.338 668 I HN 0.521 nan 8.210 nan 0.000 0.456 669 H N 6.445 125.502 119.070 -0.021 0.000 2.466 669 H HA 0.462 5.016 4.556 -0.003 0.000 0.338 669 H C -0.664 174.678 175.328 0.022 0.000 1.091 669 H CA -0.497 55.542 56.048 -0.014 0.000 1.207 669 H CB 2.294 32.045 29.762 -0.019 0.000 1.466 669 H HN 0.386 nan 8.280 nan 0.000 0.493 670 I N 6.043 126.671 120.570 0.097 0.000 2.377 670 I HA 0.175 4.343 4.170 -0.004 0.000 0.282 670 I C 0.679 176.851 176.117 0.092 0.000 1.091 670 I CA -0.121 61.233 61.300 0.090 0.000 1.207 670 I CB -0.084 37.889 38.000 -0.046 0.000 1.429 670 I HN 0.332 nan 8.210 nan 0.000 0.491 671 I N 1.807 122.464 120.570 0.145 0.000 2.822 671 I HA 0.967 5.135 4.170 -0.004 0.000 0.312 671 I C 0.708 176.888 176.117 0.104 0.000 1.011 671 I CA -0.395 60.961 61.300 0.093 0.000 1.105 671 I CB 1.688 39.723 38.000 0.058 0.000 1.291 671 I HN 0.596 nan 8.210 nan 0.000 0.474 672 G N 1.939 110.751 108.800 0.020 0.000 2.894 672 G HA2 0.347 4.305 3.960 -0.004 0.000 0.247 672 G HA3 0.347 4.305 3.960 -0.004 0.000 0.247 672 G C 0.110 175.051 174.900 0.069 0.000 1.442 672 G CA -0.097 45.001 45.100 -0.003 0.000 0.897 672 G HN 2.651 nan 8.290 nan 0.000 0.550 673 G N -2.128 106.693 108.800 0.036 0.000 2.539 673 G HA2 0.637 4.595 3.960 -0.004 0.000 0.686 673 G HA3 0.637 4.595 3.960 -0.004 0.000 0.686 673 G C 0.731 175.654 174.900 0.038 0.000 1.258 673 G CA 0.696 45.820 45.100 0.040 0.000 0.846 673 G HN 3.083 nan 8.290 nan 0.000 0.647 674 G N -1.204 107.630 108.800 0.056 0.000 2.317 674 G HA2 0.927 4.884 3.960 -0.004 0.000 0.293 674 G HA3 0.927 4.884 3.960 -0.004 0.000 0.293 674 G C -0.602 174.386 174.900 0.145 0.000 1.287 674 G CA 1.142 46.296 45.100 0.090 0.000 0.850 674 G HN 2.814 nan 8.290 nan 0.000 0.515 675 A N -1.204 121.708 122.820 0.153 0.000 2.605 675 A HA 0.810 5.128 4.320 -0.004 0.000 0.294 675 A C -0.601 177.076 177.584 0.156 0.000 1.062 675 A CA -0.010 52.142 52.037 0.191 0.000 0.682 675 A CB 1.262 20.406 19.000 0.241 0.000 1.278 675 A HN 1.409 nan 8.150 nan 0.000 0.410 676 T N 1.425 116.064 114.554 0.143 0.000 2.811 676 T HA 0.302 4.650 4.350 -0.004 0.000 0.309 676 T C 0.008 174.804 174.700 0.160 0.000 1.005 676 T CA -0.094 62.067 62.100 0.102 0.000 0.955 676 T CB -0.268 68.623 68.868 0.038 0.000 0.970 676 T HN 0.601 nan 8.240 nan 0.000 0.496 677 C N 4.891 124.297 119.300 0.177 0.000 3.183 677 C HA 0.146 4.604 4.460 -0.004 0.000 0.545 677 C C 0.932 176.043 174.990 0.201 0.000 1.044 677 C CA -0.596 58.619 59.018 0.327 0.000 1.117 677 C CB -2.804 24.942 27.740 0.010 0.000 1.393 677 C HN 1.024 nan 8.230 nan 0.000 0.611 678 Y N 0.442 120.738 120.300 -0.007 0.000 3.389 678 Y HA -0.269 4.279 4.550 -0.003 0.000 0.213 678 Y C 1.304 176.861 175.900 -0.572 0.000 1.272 678 Y CA 1.565 59.494 58.100 -0.285 0.000 1.444 678 Y CB -1.192 37.110 38.460 -0.264 0.000 1.445 678 Y HN 0.935 nan 8.280 nan 0.000 0.583 679 G N -0.193 108.400 108.800 -0.345 0.000 2.187 679 G HA2 -0.370 3.588 3.960 -0.004 0.000 0.261 679 G HA3 -0.370 3.588 3.960 -0.004 0.000 0.261 679 G C 0.473 175.188 174.900 -0.307 0.000 1.000 679 G CA 0.269 45.190 45.100 -0.298 0.000 0.718 679 G HN 0.734 nan 8.290 nan 0.000 0.519 680 F N 1.167 120.958 119.950 -0.265 0.000 2.664 680 F HA 0.425 4.950 4.527 -0.003 0.000 0.301 680 F C 1.718 177.384 175.800 -0.224 0.000 1.126 680 F CA 0.137 57.795 58.000 -0.570 0.000 1.373 680 F CB 0.278 39.032 39.000 -0.410 0.000 1.042 680 F HN 0.680 nan 8.300 nan 0.000 0.535 681 G N 0.848 109.663 108.800 0.025 0.000 2.549 681 G HA2 -0.032 3.926 3.960 -0.004 0.000 0.404 681 G HA3 -0.032 3.926 3.960 -0.004 0.000 0.404 681 G C -0.806 174.118 174.900 0.040 0.000 1.292 681 G CA -0.575 44.558 45.100 0.054 0.000 0.935 681 G HN 0.417 nan 8.290 nan 0.000 0.512 682 S N -1.934 113.793 115.700 0.046 0.000 2.600 682 S HA 0.850 5.318 4.470 -0.004 0.000 0.300 682 S C -0.734 173.898 174.600 0.053 0.000 1.087 682 S CA -0.200 58.034 58.200 0.056 0.000 0.965 682 S CB 2.397 65.630 63.200 0.056 0.000 1.089 682 S HN 1.825 nan 8.310 nan 0.000 0.496 683 V N 1.824 121.777 119.914 0.066 0.000 2.447 683 V HA 0.431 4.549 4.120 -0.004 0.000 0.292 683 V C -0.374 175.754 176.094 0.057 0.000 1.021 683 V CA -0.590 61.743 62.300 0.054 0.000 0.850 683 V CB 1.475 33.333 31.823 0.059 0.000 1.005 683 V HN 1.036 nan 8.190 nan 0.000 0.426 684 T N 4.373 118.951 114.554 0.040 0.000 2.749 684 T HA 0.182 4.530 4.350 -0.004 0.000 0.295 684 T C 0.355 175.072 174.700 0.029 0.000 0.936 684 T CA -0.091 62.031 62.100 0.035 0.000 1.060 684 T CB 0.326 69.209 68.868 0.025 0.000 0.904 684 T HN 0.673 nan 8.240 nan 0.000 0.500 685 N N 2.904 121.621 118.700 0.028 0.000 2.468 685 N HA 0.009 4.747 4.740 -0.004 0.000 0.265 685 N C 0.845 176.365 175.510 0.017 0.000 1.199 685 N CA -0.128 52.931 53.050 0.015 0.000 0.928 685 N CB 0.852 39.339 38.487 0.000 0.000 1.059 685 N HN 0.280 nan 8.380 nan 0.000 0.467 686 V N 2.738 122.671 119.914 0.030 0.000 2.878 686 V HA 0.202 4.320 4.120 -0.004 0.000 0.250 686 V C 0.951 177.069 176.094 0.041 0.000 1.075 686 V CA 1.213 63.543 62.300 0.050 0.000 1.096 686 V CB -0.506 31.381 31.823 0.107 0.000 0.724 686 V HN 0.991 nan 8.190 nan 0.000 0.467 687 G N -0.340 108.474 108.800 0.022 0.000 2.535 687 G HA2 0.117 4.075 3.960 -0.004 0.000 0.662 687 G HA3 0.117 4.075 3.960 -0.004 0.000 0.662 687 G C -1.407 173.492 174.900 -0.001 0.000 1.417 687 G CA -0.757 44.354 45.100 0.019 0.000 0.866 687 G HN 0.120 nan 8.290 nan 0.000 0.647 688 L N 0.598 121.816 121.223 -0.009 0.000 2.359 688 L HA 0.846 5.184 4.340 -0.004 0.000 0.256 688 L C -0.148 176.674 176.870 -0.081 0.000 1.026 688 L CA -1.139 53.672 54.840 -0.048 0.000 0.828 688 L CB 2.811 44.827 42.059 -0.072 0.000 1.406 688 L HN 0.720 nan 8.230 nan 0.000 0.413 689 K N 1.932 122.246 120.400 -0.142 0.000 2.535 689 K HA 0.499 4.817 4.320 -0.004 0.000 0.250 689 K C -2.011 174.465 176.600 -0.207 0.000 0.948 689 K CA -0.621 55.496 56.287 -0.284 0.000 0.796 689 K CB 2.384 34.708 32.500 -0.293 0.000 1.216 689 K HN 0.430 nan 8.250 nan 0.000 0.432 690 L N 6.769 127.859 121.223 -0.222 0.000 2.282 690 L HA 0.560 4.898 4.340 -0.004 0.000 0.288 690 L C -0.726 176.093 176.870 -0.084 0.000 1.033 690 L CA -0.379 54.388 54.840 -0.122 0.000 0.807 690 L CB 1.006 42.985 42.059 -0.133 0.000 1.209 690 L HN 0.648 nan 8.230 nan 0.000 0.423 691 I N 2.075 122.658 120.570 0.021 0.000 2.892 691 I HA 0.890 5.058 4.170 -0.004 0.000 0.306 691 I C -0.085 176.154 176.117 0.204 0.000 1.078 691 I CA -1.046 60.295 61.300 0.069 0.000 1.032 691 I CB 1.922 39.924 38.000 0.003 0.000 1.229 691 I HN 0.662 nan 8.210 nan 0.000 0.435 692 A N 4.481 127.391 122.820 0.149 0.000 2.366 692 A HA 0.588 4.906 4.320 -0.004 0.000 0.249 692 A C 0.014 177.556 177.584 -0.070 0.000 1.084 692 A CA -0.254 51.743 52.037 -0.065 0.000 0.794 692 A CB 0.194 19.148 19.000 -0.078 0.000 1.034 692 A HN 0.698 nan 8.150 nan 0.000 0.491 693 I N 0.000 120.479 120.570 -0.151 0.000 2.984 693 I HA 0.000 4.168 4.170 -0.004 0.000 0.288 693 I CA 0.000 61.250 61.300 -0.084 0.000 1.566 693 I CB 0.000 37.943 38.000 -0.096 0.000 1.214 693 I HN 0.000 nan 8.210 nan 0.000 0.494